2-(2,3-dimethylcyclohexen-1-yl)acetic acid

C10H16O2 — CID 12682238

IUPAC2-(2,3-dimethylcyclohexen-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)CCCC1C
InChIInChI=1S/C10H16O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyDKPNWNHFUGFBGD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About 2-(2,3-dimethylcyclohexen-1-yl)acetic acid

2-(2,3-dimethylcyclohexen-1-yl)acetic acid (PubChem CID 12682238) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclohexen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylcyclohexen-1-yl)acetic acid
PubChem CID12682238
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(2,3-dimethylcyclohexen-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)CCCC1C
InChIInChI=1S/C10H16O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyDKPNWNHFUGFBGD-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
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

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
2,6,6-Trimethylcyclohexene-1-carboxylic acid
CID 3013889
Hymenoic acid
CID 25014973
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
CID 206756
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-methyl-
CID 206757
1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclopentyl)-
CID 206760
1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclohexyl)-
CID 206839
1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-
CID 3039525
3,4-Dimethyl-cyclohex-3-enecarboxylic acid
CID 11457803
1,3,4-Trimethylcyclohex-3-ene-1-carboxylic acid
CID 85968414

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclohexen-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethylcyclohexen-1-yl)acetic acid (CID 12682238) is 2-(2,3-dimethylcyclohexen-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethylcyclohexen-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethylcyclohexen-1-yl)acetic acid is CC1=C(CC(=O)O)CCCC1C.
What is the InChIKey of 2-(2,3-dimethylcyclohexen-1-yl)acetic acid?
The InChIKey is DKPNWNHFUGFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,3-dimethylcyclohexen-1-yl)acetic acid?
2-(2,3-dimethylcyclohexen-1-yl)acetic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclohexen-1-yl)acetic acid is sourced from PubChem (CID 12682238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).