(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one

C13H20O3 — CID 134856968

IUPAC(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC2(CC1=O)[C@@H](C)CCC[C@]2(C)O
InChIInChI=1S/C13H20O3/c1-9-5-4-6-12(2,15)13(9)7-10(14)11(8-13)16-3/h8-9,15H,4-7H2,1-3H3/t9-,12-,13?/m0/s1
InChIKeyBMNXQRNNGVCKCD-PEJSQMDMSA-N
MW224.30 g/mol
LogP2.05
Rot. Bonds1

About (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one

(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one (PubChem CID 134856968) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one
PubChem CID134856968
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC2(CC1=O)[C@@H](C)CCC[C@]2(C)O
InChIInChI=1S/C13H20O3/c1-9-5-4-6-12(2,15)13(9)7-10(14)11(8-13)16-3/h8-9,15H,4-7H2,1-3H3/t9-,12-,13?/m0/s1
InChIKeyBMNXQRNNGVCKCD-PEJSQMDMSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethoxy-1,3-dimethylcyclohexan-1-ol
CID 166746994
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
(4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 71665668
5-hydroxy-3-methoxy-5-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 12695569
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
CID 102065253
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
methyl (1S)-5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-1-hydroxy-3-methoxy-4-oxocyclopent-2-ene-1-carboxylate
CID 102284910
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate
CID 69113031

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one?
The IUPAC name of (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one (CID 134856968) is (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one is COC1=CC2(CC1=O)[C@@H](C)CCC[C@]2(C)O.
What is the InChIKey of (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one?
The InChIKey is BMNXQRNNGVCKCD-PEJSQMDMSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-5-4-6-12(2,15)13(9)7-10(14)11(8-13)16-3/h8-9,15H,4-7H2,1-3H3/t9-,12-,13?/m0/s1.
What are the key properties of (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one?
(6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-10-hydroxy-3-methoxy-6,10-dimethylspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 134856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).