bis[(E)-tetradec-5-en-5-yl] butanedioate

C32H58O4 — CID 142743699

IUPACbis[(E)-tetradec-5-en-5-yl] butanedioate
SMILESCCCCCCCC/C=C(\CCCC)OC(=O)CCC(=O)O/C(=C/CCCCCCCC)CCCC
InChIInChI=1S/C32H58O4/c1-5-9-13-15-17-19-21-25-29(23-11-7-3)35-31(33)27-28-32(34)36-30(24-12-8-4)26-22-20-18-16-14-10-6-2/h25-26H,5-24,27-28H2,1-4H3/b29-25+,30-26+
InChIKeyHGSWNGNSMZDKNF-XDHTVYJESA-N
MW506.81 g/mol
LogP10.50
Rot. Bonds25

About bis[(E)-tetradec-5-en-5-yl] butanedioate

bis[(E)-tetradec-5-en-5-yl] butanedioate (PubChem CID 142743699) has the molecular formula C32H58O4 and a molecular weight of 506.81 g/mol. Its IUPAC name is bis[(E)-tetradec-5-en-5-yl] butanedioate.

Molecular Properties

Compound Namebis[(E)-tetradec-5-en-5-yl] butanedioate
PubChem CID142743699
Molecular FormulaC32H58O4
Molecular Weight506.81 g/mol
Exact Mass506.43
IUPAC Namebis[(E)-tetradec-5-en-5-yl] butanedioate
SMILESCCCCCCCC/C=C(\CCCC)OC(=O)CCC(=O)O/C(=C/CCCCCCCC)CCCC
InChIInChI=1S/C32H58O4/c1-5-9-13-15-17-19-21-25-29(23-11-7-3)35-31(33)27-28-32(34)36-30(24-12-8-4)26-22-20-18-16-14-10-6-2/h25-26H,5-24,27-28H2,1-4H3/b29-25+,30-26+
InChIKeyHGSWNGNSMZDKNF-XDHTVYJESA-N
XLogP10.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.81
LogP ≤ 510.50
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'}

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Related Compounds

dipotassium bis(4-oxo-4-tetradec-5-en-5-yloxybutanoate)
CID 157230744
10-icos-9-en-10-yloxyicos-9-ene
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4-nonadeca-1,4-dien-4-yloxy-4-oxobutanoic acid
CID 173413281
4-[(4E)-henicosa-1,4-dien-4-yl]oxy-4-oxobutanoic acid
CID 88680947
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
nonanoyl 9-oxononanoate
CID 134607254
cadmium;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 174884194
azane;[(Z)-octadec-9-enoyl] octadec-9-enoate
CID 134587557
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of bis[(E)-tetradec-5-en-5-yl] butanedioate?
The IUPAC name of bis[(E)-tetradec-5-en-5-yl] butanedioate (CID 142743699) is bis[(E)-tetradec-5-en-5-yl] butanedioate.
What is the SMILES notation for bis[(E)-tetradec-5-en-5-yl] butanedioate?
The canonical SMILES for bis[(E)-tetradec-5-en-5-yl] butanedioate is CCCCCCCC/C=C(\CCCC)OC(=O)CCC(=O)O/C(=C/CCCCCCCC)CCCC.
What is the InChIKey of bis[(E)-tetradec-5-en-5-yl] butanedioate?
The InChIKey is HGSWNGNSMZDKNF-XDHTVYJESA-N. The full InChI is InChI=1S/C32H58O4/c1-5-9-13-15-17-19-21-25-29(23-11-7-3)35-31(33)27-28-32(34)36-30(24-12-8-4)26-22-20-18-16-14-10-6-2/h25-26H,5-24,27-28H2,1-4H3/b29-25+,30-26+.
What are the key properties of bis[(E)-tetradec-5-en-5-yl] butanedioate?
bis[(E)-tetradec-5-en-5-yl] butanedioate has a molecular weight of 506.81 g/mol, XLogP of 10.50, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-tetradec-5-en-5-yl] butanedioate is sourced from PubChem (CID 142743699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).