2-cyclohexylpent-2-enoic acid

C11H18O2 — CID 67108594

IUPAC2-cyclohexylpent-2-enoic acid
SMILESCCC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3,(H,12,13)
InChIKeyICDSRGCPMBVUFX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds3

About 2-cyclohexylpent-2-enoic acid

2-cyclohexylpent-2-enoic acid (PubChem CID 67108594) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclohexylpent-2-enoic acid.

Molecular Properties

Compound Name2-cyclohexylpent-2-enoic acid
PubChem CID67108594
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclohexylpent-2-enoic acid
SMILESCCC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3,(H,12,13)
InChIKeyICDSRGCPMBVUFX-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl(triethylsilyl)methanone
CID 15093454
cyclopentanecarboxylic acid;propanal
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cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid
CID 67426263
(E)-1-cyclohexylpent-2-en-1-one
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2-cyclohexyl-2-ethyl-3-propylidenebutanedioic acid
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(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
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(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
CID 165441204
2-cyclododecyl-2-oxoacetic acid
CID 20976833
(E)-1-cyclohexylpent-1-en-1-ol
CID 142446276
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CID 175970280
cyclooctadecane-1,7,13-tricarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpent-2-enoic acid?
The IUPAC name of 2-cyclohexylpent-2-enoic acid (CID 67108594) is 2-cyclohexylpent-2-enoic acid.
What is the SMILES notation for 2-cyclohexylpent-2-enoic acid?
The canonical SMILES for 2-cyclohexylpent-2-enoic acid is CCC=C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpent-2-enoic acid?
The InChIKey is ICDSRGCPMBVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3,(H,12,13).
What are the key properties of 2-cyclohexylpent-2-enoic acid?
2-cyclohexylpent-2-enoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpent-2-enoic acid is sourced from PubChem (CID 67108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).