bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate

C24H38O4 — CID 101305832

IUPACbis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate
SMILESCCCCCC/C=C/OC(=O)C1C=CCCC1C(=O)O/C=C/CCCCCC
InChIInChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13,15-17,19-22H,3-12,14,18H2,1-2H3/b19-15+,20-16+
InChIKeyUWNJAWXIMHVMHJ-MXWIWYRXSA-N
MW390.56 g/mol
LogP6.62
Rot. Bonds14

About bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate

bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate (PubChem CID 101305832) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate
PubChem CID101305832
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Namebis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate
SMILESCCCCCC/C=C/OC(=O)C1C=CCCC1C(=O)O/C=C/CCCCCC
InChIInChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13,15-17,19-22H,3-12,14,18H2,1-2H3/b19-15+,20-16+
InChIKeyUWNJAWXIMHVMHJ-MXWIWYRXSA-N
XLogP6.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.62
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bis[(E)-oct-1-enyl] cyclohex-3-ene-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

bis(octadec-1-enyl) 3-methylcyclohex-4-ene-1,2-dicarboxylate
CID 139821204
2-O-(2-methylpropyl) 1-O-tetradecyl cyclohex-3-ene-1,2-dicarboxylate
CID 152705261
2-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 150563699
octadec-1-enyl tetradecanoate
CID 71417711
docos-1-enyl tetradecanoate
CID 141143815
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
6-butoxycarbonylcyclohex-2-ene-1-carboperoxoic acid
CID 160859102
dec-1-enyl propanoate
CID 54106013
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
undec-1-enyl pentanoate
CID 150139235
[(E)-hexadec-1-enyl] acetate
CID 5376351

Frequently Asked Questions

What is the IUPAC name of bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate?
The IUPAC name of bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate (CID 101305832) is bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate.
What is the SMILES notation for bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate?
The canonical SMILES for bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate is CCCCCC/C=C/OC(=O)C1C=CCCC1C(=O)O/C=C/CCCCCC.
What is the InChIKey of bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate?
The InChIKey is UWNJAWXIMHVMHJ-MXWIWYRXSA-N. The full InChI is InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13,15-17,19-22H,3-12,14,18H2,1-2H3/b19-15+,20-16+.
What are the key properties of bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate?
bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate has a molecular weight of 390.56 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-oct-1-enyl] cyclohex-3-ene-1,2-dicarboxylate is sourced from PubChem (CID 101305832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).