cyclohexen-1-ylmethyl prop-2-enoate

C10H14O2 — CID 10866703

IUPACcyclohexen-1-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1=CCCCC1
InChIInChI=1S/C10H14O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeyNQUSVAQGTYCOGL-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds3

About cyclohexen-1-ylmethyl prop-2-enoate

cyclohexen-1-ylmethyl prop-2-enoate (PubChem CID 10866703) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl prop-2-enoate.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl prop-2-enoate
PubChem CID10866703
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namecyclohexen-1-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1=CCCCC1
InChIInChI=1S/C10H14O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeyNQUSVAQGTYCOGL-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexen-1-ylmethyl 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 cyclohexen-1-ylmethyl prop-2-enoate?
The IUPAC name of cyclohexen-1-ylmethyl prop-2-enoate (CID 10866703) is cyclohexen-1-ylmethyl prop-2-enoate.
What is the SMILES notation for cyclohexen-1-ylmethyl prop-2-enoate?
The canonical SMILES for cyclohexen-1-ylmethyl prop-2-enoate is C=CC(=O)OCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethyl prop-2-enoate?
The InChIKey is NQUSVAQGTYCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2.
What are the key properties of cyclohexen-1-ylmethyl prop-2-enoate?
cyclohexen-1-ylmethyl prop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl prop-2-enoate is sourced from PubChem (CID 10866703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).