(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate

C15H20O2 — CID 68753368

IUPAC(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C15H20O2/c1-2-14(16)17-15(11-7-4-8-12-15)13-9-5-3-6-10-13/h2,4,7-8,11,13H,1,3,5-6,9-10,12H2
InChIKeyJKJTUAUWMUWAQQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.55
Rot. Bonds3

About (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate

(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate (PubChem CID 68753368) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate
PubChem CID68753368
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C15H20O2/c1-2-14(16)17-15(11-7-4-8-12-15)13-9-5-3-6-10-13/h2,4,7-8,11,13H,1,3,5-6,9-10,12H2
InChIKeyJKJTUAUWMUWAQQ-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate 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 (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate?
The IUPAC name of (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate (CID 68753368) is (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate.
What is the SMILES notation for (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate?
The canonical SMILES for (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate is C=CC(=O)OC1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate?
The InChIKey is JKJTUAUWMUWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-14(16)17-15(11-7-4-8-12-15)13-9-5-3-6-10-13/h2,4,7-8,11,13H,1,3,5-6,9-10,12H2.
What are the key properties of (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate?
(1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate is sourced from PubChem (CID 68753368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).