1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid

C13H20O2 — CID 114620879

IUPAC1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2C=CCCC2)C1
InChIInChI=1S/C13H20O2/c1-10-7-8-13(9-10,12(14)15)11-5-3-2-4-6-11/h3,5,10-11H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyFRZNTYHXRSZDNB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.23
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid

1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid (PubChem CID 114620879) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
PubChem CID114620879
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2C=CCCC2)C1
InChIInChI=1S/C13H20O2/c1-10-7-8-13(9-10,12(14)15)11-5-3-2-4-6-11/h3,5,10-11H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyFRZNTYHXRSZDNB-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.23
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

1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
CID 114620507
1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
CID 114620874
1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid
CID 114228097
3-cyclohex-2-en-1-yl-8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 58695815
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631
1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425753
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
CID 86092713
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
CID 130697908
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79425853
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid (CID 114620879) is 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid is CC1CCC(C(=O)O)(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is FRZNTYHXRSZDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-7-8-13(9-10,12(14)15)11-5-3-2-4-6-11/h3,5,10-11H,2,4,6-9H2,1H3,(H,14,15).
What are the key properties of 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid?
1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 208.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114620879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).