2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid

C12H20O2 — CID 54375426

IUPAC2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
SMILESC=C(C)C1CCC(C)CC1CC(=O)O
InChIInChI=1S/C12H20O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h9-11H,1,4-7H2,2-3H3,(H,13,14)
InChIKeyUWDTVADIBXQDLX-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.09
Rot. Bonds3

About 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid

2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid (PubChem CID 54375426) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
PubChem CID54375426
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
SMILESC=C(C)C1CCC(C)CC1CC(=O)O
InChIInChI=1S/C12H20O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h9-11H,1,4-7H2,2-3H3,(H,13,14)
InChIKeyUWDTVADIBXQDLX-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetaldehyde
CID 173016577
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
3-methylbutanoic acid;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 53471029
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid
CID 149498452
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
CID 118401565
(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 143334985
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid (CID 54375426) is 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid is C=C(C)C1CCC(C)CC1CC(=O)O.
What is the InChIKey of 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid?
The InChIKey is UWDTVADIBXQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h9-11H,1,4-7H2,2-3H3,(H,13,14).
What are the key properties of 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid?
2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid has a molecular weight of 196.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid is sourced from PubChem (CID 54375426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).