bis[(E)-tetradec-11-enyl] butanedioate

C32H58O4 — CID 91694893

IUPACbis[(E)-tetradec-11-enyl] butanedioate
SMILESCC/C=C/CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC/C=C/CC
InChIInChI=1S/C32H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8H,3-4,9-30H2,1-2H3/b7-5+,8-6+
InChIKeyWIFLVNMQDLSICN-KQQUZDAGSA-N
MW506.81 g/mol
LogP9.81
Rot. Bonds27

About bis[(E)-tetradec-11-enyl] butanedioate

bis[(E)-tetradec-11-enyl] butanedioate (PubChem CID 91694893) has the molecular formula C32H58O4 and a molecular weight of 506.81 g/mol. Its IUPAC name is bis[(E)-tetradec-11-enyl] butanedioate.

Molecular Properties

Compound Namebis[(E)-tetradec-11-enyl] butanedioate
PubChem CID91694893
Molecular FormulaC32H58O4
Molecular Weight506.81 g/mol
Exact Mass506.43
IUPAC Namebis[(E)-tetradec-11-enyl] butanedioate
SMILESCC/C=C/CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC/C=C/CC
InChIInChI=1S/C32H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8H,3-4,9-30H2,1-2H3/b7-5+,8-6+
InChIKeyWIFLVNMQDLSICN-KQQUZDAGSA-N
XLogP9.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.81
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Oleate
CID 5363269
Butyl Oleate
CID 5354342
Ethyl linolenate
CID 5367460
Polyoxyethylene dioleate
CID 5378708
Ethyl Linoleate
CID 5282184
Decyl Oleate
CID 5363234
Cetyl Oleate
CID 5377655
11-Hexadecenyl acetate, (11Z)-
CID 5364711
Stearyl oleate
CID 5365194
Oleyl Oleate
CID 5364672
Lauryl Oleate
CID 6437535
Oleyl acetate
CID 5363289

Frequently Asked Questions

What is the IUPAC name of bis[(E)-tetradec-11-enyl] butanedioate?
The IUPAC name of bis[(E)-tetradec-11-enyl] butanedioate (CID 91694893) is bis[(E)-tetradec-11-enyl] butanedioate.
What is the SMILES notation for bis[(E)-tetradec-11-enyl] butanedioate?
The canonical SMILES for bis[(E)-tetradec-11-enyl] butanedioate is CC/C=C/CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC/C=C/CC.
What is the InChIKey of bis[(E)-tetradec-11-enyl] butanedioate?
The InChIKey is WIFLVNMQDLSICN-KQQUZDAGSA-N. The full InChI is InChI=1S/C32H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8H,3-4,9-30H2,1-2H3/b7-5+,8-6+.
What are the key properties of bis[(E)-tetradec-11-enyl] butanedioate?
bis[(E)-tetradec-11-enyl] butanedioate has a molecular weight of 506.81 g/mol, XLogP of 9.81, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-tetradec-11-enyl] butanedioate is sourced from PubChem (CID 91694893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).