4-cyclohex-2-en-1-yl-2-methylpentanoic acid

C12H20O2 — CID 22395768

IUPAC4-cyclohex-2-en-1-yl-2-methylpentanoic acid
SMILESCC(CC(C)C1C=CCCC1)C(=O)O
InChIInChI=1S/C12H20O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyYSGRVOQSCINFPE-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.09
Rot. Bonds4

About 4-cyclohex-2-en-1-yl-2-methylpentanoic acid

4-cyclohex-2-en-1-yl-2-methylpentanoic acid (PubChem CID 22395768) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2-methylpentanoic acid.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2-methylpentanoic acid
PubChem CID22395768
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-cyclohex-2-en-1-yl-2-methylpentanoic acid
SMILESCC(CC(C)C1C=CCCC1)C(=O)O
InChIInChI=1S/C12H20O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyYSGRVOQSCINFPE-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-cyclohex-2-en-1-ylpropanedioic acid
CID 12510753
3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
CID 142490975
2-cyclohex-2-en-1-ylpentanoic acid
CID 12609529
2-bromo-2-cyclohex-2-en-1-ylacetic acid
CID 154609477
(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
(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 (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
CID 11137554
2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
CID 154015251
dimethyl 2-cyclohex-2-en-1-ylbutanedioate
CID 121012501
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2-methylpentanoic acid?
The IUPAC name of 4-cyclohex-2-en-1-yl-2-methylpentanoic acid (CID 22395768) is 4-cyclohex-2-en-1-yl-2-methylpentanoic acid.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2-methylpentanoic acid?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2-methylpentanoic acid is CC(CC(C)C1C=CCCC1)C(=O)O.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2-methylpentanoic acid?
The InChIKey is YSGRVOQSCINFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 4-cyclohex-2-en-1-yl-2-methylpentanoic acid?
4-cyclohex-2-en-1-yl-2-methylpentanoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2-methylpentanoic acid is sourced from PubChem (CID 22395768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).