bis[(E)-dec-4-enyl] decanedioate

C30H54O4 — CID 91694605

IUPACbis[(E)-dec-4-enyl] decanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC/C=C/CCCCC
InChIInChI=1S/C30H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-28H2,1-2H3/b15-11+,16-12+
InChIKeyYPNYPUMDWZCYAW-JOBJLJCHSA-N
MW478.76 g/mol
LogP9.03
Rot. Bonds25

About bis[(E)-dec-4-enyl] decanedioate

bis[(E)-dec-4-enyl] decanedioate (PubChem CID 91694605) has the molecular formula C30H54O4 and a molecular weight of 478.76 g/mol. Its IUPAC name is bis[(E)-dec-4-enyl] decanedioate.

Molecular Properties

Compound Namebis[(E)-dec-4-enyl] decanedioate
PubChem CID91694605
Molecular FormulaC30H54O4
Molecular Weight478.76 g/mol
Exact Mass478.40
IUPAC Namebis[(E)-dec-4-enyl] decanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC/C=C/CCCCC
InChIInChI=1S/C30H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-28H2,1-2H3/b15-11+,16-12+
InChIKeyYPNYPUMDWZCYAW-JOBJLJCHSA-N
XLogP9.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 59.03
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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Frequently Asked Questions

What is the IUPAC name of bis[(E)-dec-4-enyl] decanedioate?
The IUPAC name of bis[(E)-dec-4-enyl] decanedioate (CID 91694605) is bis[(E)-dec-4-enyl] decanedioate.
What is the SMILES notation for bis[(E)-dec-4-enyl] decanedioate?
The canonical SMILES for bis[(E)-dec-4-enyl] decanedioate is CCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC/C=C/CCCCC.
What is the InChIKey of bis[(E)-dec-4-enyl] decanedioate?
The InChIKey is YPNYPUMDWZCYAW-JOBJLJCHSA-N. The full InChI is InChI=1S/C30H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-28H2,1-2H3/b15-11+,16-12+.
What are the key properties of bis[(E)-dec-4-enyl] decanedioate?
bis[(E)-dec-4-enyl] decanedioate has a molecular weight of 478.76 g/mol, XLogP of 9.03, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-dec-4-enyl] decanedioate is sourced from PubChem (CID 91694605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).