bis[(E)-hex-3-en-2-yl] propanedioate

C15H24O4 — CID 21462285

IUPACbis[(E)-hex-3-en-2-yl] propanedioate
SMILESCC/C=C/C(C)OC(=O)CC(=O)OC(C)/C=C/CC
InChIInChI=1S/C15H24O4/c1-5-7-9-12(3)18-14(16)11-15(17)19-13(4)10-8-6-2/h7-10,12-13H,5-6,11H2,1-4H3/b9-7+,10-8+
InChIKeyGKZGPFCWHQCEJJ-FIFLTTCUSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds8

About bis[(E)-hex-3-en-2-yl] propanedioate

bis[(E)-hex-3-en-2-yl] propanedioate (PubChem CID 21462285) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis[(E)-hex-3-en-2-yl] propanedioate.

Molecular Properties

Compound Namebis[(E)-hex-3-en-2-yl] propanedioate
PubChem CID21462285
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namebis[(E)-hex-3-en-2-yl] propanedioate
SMILESCC/C=C/C(C)OC(=O)CC(=O)OC(C)/C=C/CC
InChIInChI=1S/C15H24O4/c1-5-7-9-12(3)18-14(16)11-15(17)19-13(4)10-8-6-2/h7-10,12-13H,5-6,11H2,1-4H3/b9-7+,10-8+
InChIKeyGKZGPFCWHQCEJJ-FIFLTTCUSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bis[(E)-hex-3-en-2-yl] propanedioate 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 bis[(E)-hex-3-en-2-yl] propanedioate?
The IUPAC name of bis[(E)-hex-3-en-2-yl] propanedioate (CID 21462285) is bis[(E)-hex-3-en-2-yl] propanedioate.
What is the SMILES notation for bis[(E)-hex-3-en-2-yl] propanedioate?
The canonical SMILES for bis[(E)-hex-3-en-2-yl] propanedioate is CC/C=C/C(C)OC(=O)CC(=O)OC(C)/C=C/CC.
What is the InChIKey of bis[(E)-hex-3-en-2-yl] propanedioate?
The InChIKey is GKZGPFCWHQCEJJ-FIFLTTCUSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-7-9-12(3)18-14(16)11-15(17)19-13(4)10-8-6-2/h7-10,12-13H,5-6,11H2,1-4H3/b9-7+,10-8+.
What are the key properties of bis[(E)-hex-3-en-2-yl] propanedioate?
bis[(E)-hex-3-en-2-yl] propanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-hex-3-en-2-yl] propanedioate is sourced from PubChem (CID 21462285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).