bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate

C20H30O4 — CID 101305786

IUPACbis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate
SMILESCCCC/C=C/OC(=O)C1=C(C(=O)O/C=C/CCCC)CCCC1
InChIInChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3/b15-11+,16-12+
InChIKeyZBJCFBNWTXECCH-JOBJLJCHSA-N
MW334.46 g/mol
LogP5.35
Rot. Bonds10

About bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate

bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate (PubChem CID 101305786) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate
PubChem CID101305786
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Namebis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate
SMILESCCCC/C=C/OC(=O)C1=C(C(=O)O/C=C/CCCC)CCCC1
InChIInChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3/b15-11+,16-12+
InChIKeyZBJCFBNWTXECCH-JOBJLJCHSA-N
XLogP5.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone
CID 24975299
hex-1-enyl prop-2-enoate
CID 54292849
hex-1-enyl hexanoate
CID 54423513
bis[(E)-hept-3-enyl] cyclohexene-1,2-dicarboxylate
CID 101305814
hex-1-enyl (Z)-2-methylbut-2-enoate
CID 88637714
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
[(E)-oct-1-enyl] 4-methylbenzoate
CID 101221123
[(E)-dec-1-enyl] 4-hydroxybenzoate
CID 101322252
[(E)-tridec-1-enyl] 4-hydroxybenzoate
CID 101322280
[(E)-hexadec-1-enyl] acetate
CID 5376351
dec-1-enyl propanoate
CID 54106013
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059

Frequently Asked Questions

What is the IUPAC name of bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate?
The IUPAC name of bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate (CID 101305786) is bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate.
What is the SMILES notation for bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate?
The canonical SMILES for bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate is CCCC/C=C/OC(=O)C1=C(C(=O)O/C=C/CCCC)CCCC1.
What is the InChIKey of bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate?
The InChIKey is ZBJCFBNWTXECCH-JOBJLJCHSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3/b15-11+,16-12+.
What are the key properties of bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate?
bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate has a molecular weight of 334.46 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate is sourced from PubChem (CID 101305786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).