2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid

C15H22O3 — CID 68772605

IUPAC2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid
SMILESCC(=O)C1C(C)=CC(CC(=O)O)CC12CCCC2
InChIInChI=1S/C15H22O3/c1-10-7-12(8-13(17)18)9-15(5-3-4-6-15)14(10)11(2)16/h7,12,14H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCJJCJMBHXWUSFK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.19
Rot. Bonds3

About 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid

2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid (PubChem CID 68772605) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid.

Molecular Properties

Compound Name2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid
PubChem CID68772605
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid
SMILESCC(=O)C1C(C)=CC(CC(=O)O)CC12CCCC2
InChIInChI=1S/C15H22O3/c1-10-7-12(8-13(17)18)9-15(5-3-4-6-15)14(10)11(2)16/h7,12,14H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCJJCJMBHXWUSFK-UHFFFAOYSA-N
XLogP3.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.19
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

10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
CID 68723788
2-(3,5,5-trimethylcyclohex-2-en-1-yl)acetic acid
CID 163867526
ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
CID 131732744
phenyl(spiro[3.5]nonan-9-yl)methanone
CID 101482712
2-(5-nitro-2,3-dihydrothiophen-3-yl)acetic acid
CID 89344863
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
3-oxo-3-[[(1S,2R,6R,7S,10R,13S)-2,6,12-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methoxy]propanoic acid
CID 163072345
2-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetic acid
CID 163027111
2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
CID 84672432
(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 98050236
CID 142491458
CID 142491458
2-[(3aS,7aS)-2,7,7-trimethyl-4,5,6,7a-tetrahydro-3H-inden-3a-yl]acetic acid
CID 11160387

Frequently Asked Questions

What is the IUPAC name of 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid?
The IUPAC name of 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid (CID 68772605) is 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid.
What is the SMILES notation for 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid?
The canonical SMILES for 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid is CC(=O)C1C(C)=CC(CC(=O)O)CC12CCCC2.
What is the InChIKey of 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid?
The InChIKey is CJJCJMBHXWUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-12(8-13(17)18)9-15(5-3-4-6-15)14(10)11(2)16/h7,12,14H,3-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid?
2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid has a molecular weight of 250.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid is sourced from PubChem (CID 68772605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).