prop-2-enyl (E)-hex-2-enoate

C9H14O2 — CID 11812127

IUPACprop-2-enyl (E)-hex-2-enoate
SMILESC=CCOC(=O)/C=C/CCC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+
InChIKeyVOLVXFXDLNXTMV-VOTSOKGWSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds5

About prop-2-enyl (E)-hex-2-enoate

prop-2-enyl (E)-hex-2-enoate (PubChem CID 11812127) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is prop-2-enyl (E)-hex-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-hex-2-enoate
PubChem CID11812127
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameprop-2-enyl (E)-hex-2-enoate
SMILESC=CCOC(=O)/C=C/CCC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+
InChIKeyVOLVXFXDLNXTMV-VOTSOKGWSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
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 prop-2-enyl (E)-hex-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 prop-2-enyl (E)-hex-2-enoate?
The IUPAC name of prop-2-enyl (E)-hex-2-enoate (CID 11812127) is prop-2-enyl (E)-hex-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-hex-2-enoate?
The canonical SMILES for prop-2-enyl (E)-hex-2-enoate is C=CCOC(=O)/C=C/CCC.
What is the InChIKey of prop-2-enyl (E)-hex-2-enoate?
The InChIKey is VOLVXFXDLNXTMV-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+.
What are the key properties of prop-2-enyl (E)-hex-2-enoate?
prop-2-enyl (E)-hex-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-hex-2-enoate is sourced from PubChem (CID 11812127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).