1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid

C13H20O2 — CID 114620507

IUPAC1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2C=CCCC2)CCCCC1
InChIInChI=1S/C13H20O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h3,7,11H,1-2,4-6,8-10H2,(H,14,15)
InChIKeyXDAJNKJURLESHZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.38
Rot. Bonds2

About 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid

1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid (PubChem CID 114620507) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
PubChem CID114620507
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2C=CCCC2)CCCCC1
InChIInChI=1S/C13H20O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h3,7,11H,1-2,4-6,8-10H2,(H,14,15)
InChIKeyXDAJNKJURLESHZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid (CID 114620507) is 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid is O=C(O)C1(C2C=CCCC2)CCCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is XDAJNKJURLESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h3,7,11H,1-2,4-6,8-10H2,(H,14,15).
What are the key properties of 1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid?
1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 208.30 g/mol, XLogP of 3.38, 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-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114620507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).