(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one

C12H18O2 — CID 98134055

IUPAC(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
SMILESO=C1[C@H]2CC[C@H]1[C@]1(O)CCCC[C@H]1C2
InChIInChI=1S/C12H18O2/c13-11-8-4-5-10(11)12(14)6-2-1-3-9(12)7-8/h8-10,14H,1-7H2/t8-,9-,10+,12-/m0/s1
InChIKeyPWRLGIOYYQIRCE-GUDRVLHUSA-N
MW194.27 g/mol
LogP1.91
Rot. Bonds

About (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one

(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one (PubChem CID 98134055) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one.

Molecular Properties

Compound Name(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
PubChem CID98134055
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
SMILESO=C1[C@H]2CC[C@H]1[C@]1(O)CCCC[C@H]1C2
InChIInChI=1S/C12H18O2/c13-11-8-4-5-10(11)12(14)6-2-1-3-9(12)7-8/h8-10,14H,1-7H2/t8-,9-,10+,12-/m0/s1
InChIKeyPWRLGIOYYQIRCE-GUDRVLHUSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one
CID 102498911
(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
CID 130826859
3,3-dihydroxybicyclo[2.2.1]heptan-2-one
CID 130030712
(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
CID 10934846
tricyclo[6.3.1.01,6]dodecan-9-one
CID 130036870
(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 178195285
(1R,5R,7S)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 130754981
trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
CID 102532516
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284

Frequently Asked Questions

What is the IUPAC name of (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one?
The IUPAC name of (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one (CID 98134055) is (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one.
What is the SMILES notation for (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one?
The canonical SMILES for (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one is O=C1[C@H]2CC[C@H]1[C@]1(O)CCCC[C@H]1C2.
What is the InChIKey of (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one?
The InChIKey is PWRLGIOYYQIRCE-GUDRVLHUSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-8-4-5-10(11)12(14)6-2-1-3-9(12)7-8/h8-10,14H,1-7H2/t8-,9-,10+,12-/m0/s1.
What are the key properties of (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one?
(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one has a molecular weight of 194.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one is sourced from PubChem (CID 98134055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).