2-cyclohex-2-en-1-ylpentanoic acid

C11H18O2 — CID 12609529

IUPAC2-cyclohex-2-en-1-ylpentanoic acid
SMILESCCCC(C(=O)O)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,12,13)
InChIKeyWZQPNIJANKECQF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclohex-2-en-1-ylpentanoic acid

2-cyclohex-2-en-1-ylpentanoic acid (PubChem CID 12609529) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylpentanoic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylpentanoic acid
PubChem CID12609529
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclohex-2-en-1-ylpentanoic acid
SMILESCCCC(C(=O)O)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,12,13)
InChIKeyWZQPNIJANKECQF-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-ylpropanedioic acid
CID 12510753
4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
2-bromo-2-cyclohex-2-en-1-ylacetic acid
CID 154609477
dimethyl 2-cyclohex-2-en-1-ylbutanedioate
CID 121012501
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
methyl 2-[(1S)-cyclohex-2-en-1-yl]-4-phenylselanylbutanoate
CID 139265845
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid
CID 15359728
2-cyclobutylhexanoic acid
CID 102568246
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylpentanoic acid?
The IUPAC name of 2-cyclohex-2-en-1-ylpentanoic acid (CID 12609529) is 2-cyclohex-2-en-1-ylpentanoic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-ylpentanoic acid?
The canonical SMILES for 2-cyclohex-2-en-1-ylpentanoic acid is CCCC(C(=O)O)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylpentanoic acid?
The InChIKey is WZQPNIJANKECQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,12,13).
What are the key properties of 2-cyclohex-2-en-1-ylpentanoic acid?
2-cyclohex-2-en-1-ylpentanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 4 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-ylpentanoic acid is sourced from PubChem (CID 12609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).