(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

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Related Compounds

(4R,5S)-4-hydroxyspiro[4.6]undecan-11-one
CID 130756206
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
(6S)-11-hydroxyspiro[5.5]undecan-5-one
CID 157212438
5-hydroxy-3-oxaspiro[5.5]undecan-11-one
CID 168910216
(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
CID 10726571
3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
2-ethenyl-3-hydroxyspiro[3.5]nonan-9-one
CID 101268637
(6S,11R)-11-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 10397469
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 130149139
(6S,11S)-11-phenylspiro[5.5]undecan-5-one
CID 102210888
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251

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).