4-prop-1-en-2-ylcyclohexene-1-carboxylic acid

C10H14O2 — CID 1256

IUPAC4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
SMILESC=C(C)C1CC=C(C(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
InChIKeyCDSMSBUVCWHORP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds2

About 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid

4-prop-1-en-2-ylcyclohexene-1-carboxylic acid (PubChem CID 1256) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
PubChem CID1256
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
SMILESC=C(C)C1CC=C(C(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
InChIKeyCDSMSBUVCWHORP-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
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 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid?
The IUPAC name of 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid (CID 1256) is 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid?
The canonical SMILES for 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid is C=C(C)C1CC=C(C(=O)O)CC1.
What is the InChIKey of 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid?
The InChIKey is CDSMSBUVCWHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12).
What are the key properties of 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid?
4-prop-1-en-2-ylcyclohexene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 1256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).