2-chloro-3-cyclohexylprop-2-enoic acid

C9H13ClO2 — CID 130738064

IUPAC2-chloro-3-cyclohexylprop-2-enoic acid
SMILESO=C(O)C(Cl)=CC1CCCCC1
InChIInChI=1S/C9H13ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyUMFFEYNDOCADIG-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-3-cyclohexylprop-2-enoic acid

2-chloro-3-cyclohexylprop-2-enoic acid (PubChem CID 130738064) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 2-chloro-3-cyclohexylprop-2-enoic acid.

Molecular Properties

Compound Name2-chloro-3-cyclohexylprop-2-enoic acid
PubChem CID130738064
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name2-chloro-3-cyclohexylprop-2-enoic acid
SMILESO=C(O)C(Cl)=CC1CCCCC1
InChIInChI=1S/C9H13ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyUMFFEYNDOCADIG-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclohexylprop-2-enoic acid?
The IUPAC name of 2-chloro-3-cyclohexylprop-2-enoic acid (CID 130738064) is 2-chloro-3-cyclohexylprop-2-enoic acid.
What is the SMILES notation for 2-chloro-3-cyclohexylprop-2-enoic acid?
The canonical SMILES for 2-chloro-3-cyclohexylprop-2-enoic acid is O=C(O)C(Cl)=CC1CCCCC1.
What is the InChIKey of 2-chloro-3-cyclohexylprop-2-enoic acid?
The InChIKey is UMFFEYNDOCADIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2-chloro-3-cyclohexylprop-2-enoic acid?
2-chloro-3-cyclohexylprop-2-enoic acid has a molecular weight of 188.65 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyclohexylprop-2-enoic acid is sourced from PubChem (CID 130738064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).