2-cyclohex-2-en-1-yl-2-methylbutanoic acid

C11H18O2 — CID 112704157

IUPAC2-cyclohex-2-en-1-yl-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,13)
InChIKeyDLMIZCQOVMUFON-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-2-methylbutanoic acid

2-cyclohex-2-en-1-yl-2-methylbutanoic acid (PubChem CID 112704157) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2-methylbutanoic acid
PubChem CID112704157
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclohex-2-en-1-yl-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,13)
InChIKeyDLMIZCQOVMUFON-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
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-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
CID 154015251
2-cyclohex-2-en-1-yl-2-methylpentan-3-one
CID 59350174
2-cyclohex-2-en-1-ylpent-3-yn-2-yl 2,2-dimethylbutanoate
CID 165059831
(3R)-3-tert-butylcyclohexene
CID 12523764
2-(2-butyloctyl)-2-cyclohex-2-en-1-ylpropanedioic acid
CID 22637318
ethyl 2,2-di(cyclohex-2-en-1-yl)-3-oxobutanoate
CID 11130042
3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
CID 102026585
2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
CID 155057251
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
dimethyl 2-but-2-ynyl-2-cyclohex-2-en-1-ylpropanedioate
CID 101150599
diethyl 2-cyclohex-2-en-1-yl-2-prop-2-enylpropanedioate
CID 11044167
ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate
CID 173220438

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-2-methylbutanoic acid?
The IUPAC name of 2-cyclohex-2-en-1-yl-2-methylbutanoic acid (CID 112704157) is 2-cyclohex-2-en-1-yl-2-methylbutanoic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2-methylbutanoic acid?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2-methylbutanoic acid is CCC(C)(C(=O)O)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2-methylbutanoic acid?
The InChIKey is DLMIZCQOVMUFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclohex-2-en-1-yl-2-methylbutanoic acid?
2-cyclohex-2-en-1-yl-2-methylbutanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-2-methylbutanoic acid is sourced from PubChem (CID 112704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).