(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one

C12H20O2 — CID 15438101

IUPAC(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
SMILESO=C1CCCCCC[C@@]12CCC[C@@H]2O
InChIInChI=1S/C12H20O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h11,14H,1-9H2/t11-,12+/m0/s1
InChIKeyMMBRAWPREWXEFB-NWDGAFQWSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds

About (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one

(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one (PubChem CID 15438101) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
PubChem CID15438101
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
SMILESO=C1CCCCCC[C@@]12CCC[C@@H]2O
InChIInChI=1S/C12H20O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h11,14H,1-9H2/t11-,12+/m0/s1
InChIKeyMMBRAWPREWXEFB-NWDGAFQWSA-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

Analyze (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one?
The IUPAC name of (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one (CID 15438101) is (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one.
What is the SMILES notation for (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one?
The canonical SMILES for (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one is O=C1CCCCCC[C@@]12CCC[C@@H]2O.
What is the InChIKey of (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one?
The InChIKey is MMBRAWPREWXEFB-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h11,14H,1-9H2/t11-,12+/m0/s1.
What are the key properties of (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one?
(4S,5S)-4-hydroxyspiro[4.7]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 (4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one is sourced from PubChem (CID 15438101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).