1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone

C15H24O2 — CID 596195

IUPAC1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone
SMILESCC(=O)C1CCC2(C1)C(C)=CCC(C)C2(C)O
InChIInChI=1S/C15H24O2/c1-10-5-6-11(2)15(14(10,4)17)8-7-13(9-15)12(3)16/h6,10,13,17H,5,7-9H2,1-4H3
InChIKeyYRDQPZFHCDPJPY-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds1

About 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone

1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone (PubChem CID 596195) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone
PubChem CID596195
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone
SMILESCC(=O)C1CCC2(C1)C(C)=CCC(C)C2(C)O
InChIInChI=1S/C15H24O2/c1-10-5-6-11(2)15(14(10,4)17)8-7-13(9-15)12(3)16/h6,10,13,17H,5,7-9H2,1-4H3
InChIKeyYRDQPZFHCDPJPY-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
CID 73810597
(3S,6R,7R,9Z,11S)-6-(2-hydroxypropan-2-yl)-3,10,14-trimethyltricyclo[9.3.0.03,7]tetradeca-1(14),9-diene-4,13-dione
CID 155519462
(3aZ,5R,9R,9aR)-5-hydroxy-2,2,5,9-tetramethyl-1,3,7,8,9,9a-hexahydrocyclopenta[8]annulen-6-one
CID 73356776
1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclopentyl)-
CID 206760
(2R,5S,10R)-2-(1',2'-dihydroxy-1'-methylethyl)-6,10-dimethyl-spiro(4,5)dec-6-en-8-one
CID 139588364
(1S)-1-(hydroxymethyl)-4-propan-2-ylspiro[4.5]dec-3-en-8-one
CID 127042786
7-Hydroxymuskatone
CID 168265187
Kanshone A
CID 10466564
(3aR,6R)-6-(2-hydroxypropan-2-yl)-3a-methyl-3,4,5,6,7,9-hexahydro-2H-cyclopenta[8]annulen-8-one
CID 11031886
(1S,3aS,8aR)-1-(2-hydroxypropan-2-yl)-3a,6-dimethyl-1,2,3,4,8,8a-hexahydroazulen-5-one
CID 11085792
11S,12-Dihydroxyspirovetiv-1(10)-en-2-one
CID 15385559
11R,12-Dihydroxyspirovetiv-1(10)-en-2-one
CID 15385560

Frequently Asked Questions

What is the IUPAC name of 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone?
The IUPAC name of 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone (CID 596195) is 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone.
What is the SMILES notation for 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone?
The canonical SMILES for 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone is CC(=O)C1CCC2(C1)C(C)=CCC(C)C2(C)O.
What is the InChIKey of 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone?
The InChIKey is YRDQPZFHCDPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-6-11(2)15(14(10,4)17)8-7-13(9-15)12(3)16/h6,10,13,17H,5,7-9H2,1-4H3.
What are the key properties of 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone?
1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone is sourced from PubChem (CID 596195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).