(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
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Product Description
Product
(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CAS
4695-62-9
Formula
C10H16O
Synonym
(-)-FENCHONE; (1S)-1,3,3-trimethyl-norbornan-2-one; 1,3,3-trimethyl-,(1r,4s)-(+)-2-norbornanon; 1,3,3-trimethyl-,(1S)-Bicyclo[2.2.1]heptan-2-one; 2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-; 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-; 3,3-trimethyl-(1s)-bicyclo(2.2.1)heptan-2-on; 3,3-trimethyl-(1s)-bicyclo[2.2.1]heptan-2-on; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R)-
Typical Product Specifications
Molecular weight
152.23
EINECS
232-107-5
SMILES
C[C@]12CC[C@H](C1)C(C)(C)C2=O
InChI
LHXDLQBQYFFVNW-XCBNKYQSSA-N
InChIKey
1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
Melting Point
6.1 ° C
Water solubility
2150 mg/L
log P (octanol-water)
3.040
Atmospheric OH Rate Constant
1.19E-11 cm3/molecule-sec
Molecular weight
734.04
EINECS
220-153-9
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Molecular weight
734.04
EINECS
220-530-8
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Class
(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
Product Description
Product
(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CAS
4695-62-9
Formula
C10H16O
Synonym
(-)-FENCHONE; (1S)-1,3,3-trimethyl-norbornan-2-one; 1,3,3-trimethyl-,(1r,4s)-(+)-2-norbornanon; 1,3,3-trimethyl-,(1S)-Bicyclo[2.2.1]heptan-2-one; 2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-; 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-; 3,3-trimethyl-(1s)-bicyclo(2.2.1)heptan-2-on; 3,3-trimethyl-(1s)-bicyclo[2.2.1]heptan-2-on; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R)-
Typical Product Specifications
Molecular weight
152.23
EINECS
232-107-5
SMILES
C[C@]12CC[C@H](C1)C(C)(C)C2=O
InChI
LHXDLQBQYFFVNW-XCBNKYQSSA-N
InChIKey
1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
Melting Point
6.1 ° C
Water solubility
2150 mg/L
log P (octanol-water)
3.040
Atmospheric OH Rate Constant
1.19E-11 cm3/molecule-sec
Molecular weight
734.04
EINECS
220-153-9
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Molecular weight
734.04
EINECS
220-530-8
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Class
