(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one

C12H20O2 — CID 10997937

IUPAC(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
SMILESO=C1[C@H]2CCCCCC[C@]1(O)CCC2
InChIInChI=1S/C12H20O2/c13-11-10-6-3-1-2-4-8-12(11,14)9-5-7-10/h10,14H,1-9H2/t10-,12-/m0/s1
InChIKeyHDIDPCGSJBYORM-JQWIXIFHSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds

About (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one

(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one (PubChem CID 10997937) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one.

Molecular Properties

Compound Name(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
PubChem CID10997937
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
SMILESO=C1[C@H]2CCCCCC[C@]1(O)CCC2
InChIInChI=1S/C12H20O2/c13-11-10-6-3-1-2-4-8-12(11,14)9-5-7-10/h10,14H,1-9H2/t10-,12-/m0/s1
InChIKeyHDIDPCGSJBYORM-JQWIXIFHSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one?
The IUPAC name of (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one (CID 10997937) is (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one.
What is the SMILES notation for (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one?
The canonical SMILES for (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one is O=C1[C@H]2CCCCCC[C@]1(O)CCC2.
What is the InChIKey of (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one?
The InChIKey is HDIDPCGSJBYORM-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-10-6-3-1-2-4-8-12(11,14)9-5-7-10/h10,14H,1-9H2/t10-,12-/m0/s1.
What are the key properties of (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one?
(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one has a molecular weight of 196.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one is sourced from PubChem (CID 10997937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).