2-ethenylcyclohexane-1-carboxylic acid

C9H14O2 — CID 12780944

IUPAC2-ethenylcyclohexane-1-carboxylic acid
SMILESC=CC1CCCCC1C(=O)O
InChIInChI=1S/C9H14O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyYCRVZAXGQMICFJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds2

About 2-ethenylcyclohexane-1-carboxylic acid

2-ethenylcyclohexane-1-carboxylic acid (PubChem CID 12780944) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethenylcyclohexane-1-carboxylic acid
PubChem CID12780944
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethenylcyclohexane-1-carboxylic acid
SMILESC=CC1CCCCC1C(=O)O
InChIInChI=1S/C9H14O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyYCRVZAXGQMICFJ-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
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 2-ethenylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-ethenylcyclohexane-1-carboxylic acid (CID 12780944) is 2-ethenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-ethenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-ethenylcyclohexane-1-carboxylic acid is C=CC1CCCCC1C(=O)O.
What is the InChIKey of 2-ethenylcyclohexane-1-carboxylic acid?
The InChIKey is YCRVZAXGQMICFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11).
What are the key properties of 2-ethenylcyclohexane-1-carboxylic acid?
2-ethenylcyclohexane-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 12780944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).