9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid

C15H24O3 — CID 11961279

IUPAC9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
SMILESCC1=CCC2(CC1O)C(C(=O)O)CCC2C(C)C
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyZIOMQRRFPWLXDN-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.84
Rot. Bonds2

About 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid

9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid (PubChem CID 11961279) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid.

Molecular Properties

Compound Name9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
PubChem CID11961279
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
SMILESCC1=CCC2(CC1O)C(C(=O)O)CCC2C(C)C
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyZIOMQRRFPWLXDN-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Colletoic acid
CID 24854349
(4S)-4-((1R,2S)-2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one
CID 21634730
PI 201
CID 9795706
2Beta-Hydroxysubergorgic Acid
CID 11973251
1-Cyclopentene-1-pentanoic acid, delta-hydroxy-3,5-bis(1-methylpropyl)-beta-oxo-
CID 103739
(1S,4S,5S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 137647393
(1S,4S,5S,9S)-1-cyclohexyl-9-hydroxy-8-methylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155521284
Volvalerenic Acid C
CID 46938448
1-Deoxy-11beta-hydroxypentalenate
CID 70679015
(1S,4S,5S,9S)-9-hydroxy-8-methylidene-1-propan-2-ylspiro[4.5]decane-4-carboxylic acid
CID 155543491
(1S,4S,5S,10R)-10-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155556588
(3R,3aS,8S,8aS)-8-hydroxy-8a-methyl-3-propan-2-yl-2,3,3a,6,7,8-hexahydro-1H-azulene-5-carboxylic acid
CID 102027801

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid?
The IUPAC name of 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid (CID 11961279) is 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid.
What is the SMILES notation for 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid?
The canonical SMILES for 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid is CC1=CCC2(CC1O)C(C(=O)O)CCC2C(C)C.
What is the InChIKey of 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid?
The InChIKey is ZIOMQRRFPWLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid?
9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid is sourced from PubChem (CID 11961279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).