chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid

C12H19ClO2 — CID 173231321

IUPACchloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
SMILESC=CCl.CC(=CC1CCCCC1)C(=O)O
InChIInChI=1S/C10H16O2.C2H3Cl/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-2-3/h7,9H,2-6H2,1H3,(H,11,12);2H,1H2
InChIKeyJIQJFCYIGNYIPC-UHFFFAOYSA-N
MW230.73 g/mol
LogP3.97
Rot. Bonds2

About chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid

chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid (PubChem CID 173231321) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid.

Molecular Properties

Compound Namechloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
PubChem CID173231321
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Namechloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
SMILESC=CCl.CC(=CC1CCCCC1)C(=O)O
InChIInChI=1S/C10H16O2.C2H3Cl/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-2-3/h7,9H,2-6H2,1H3,(H,11,12);2H,1H2
InChIKeyJIQJFCYIGNYIPC-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid?
The IUPAC name of chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid (CID 173231321) is chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid.
What is the SMILES notation for chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid?
The canonical SMILES for chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid is C=CCl.CC(=CC1CCCCC1)C(=O)O.
What is the InChIKey of chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid?
The InChIKey is JIQJFCYIGNYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H3Cl/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-2-3/h7,9H,2-6H2,1H3,(H,11,12);2H,1H2.
What are the key properties of chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid?
chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid has a molecular weight of 230.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid is sourced from PubChem (CID 173231321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).