bis[(Z)-non-3-enyl] hexanedioate

C24H42O4 — CID 91712114

IUPACbis[(Z)-non-3-enyl] hexanedioate
SMILESCCCCC/C=C\CCOC(=O)CCCCC(=O)OCC/C=C\CCCCC
InChIInChI=1S/C24H42O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h11-14H,3-10,15-22H2,1-2H3/b13-11-,14-12-
InChIKeyHNNPXSADHNHQPV-XSYHWHKQSA-N
MW394.60 g/mol
LogP6.69
Rot. Bonds19

About bis[(Z)-non-3-enyl] hexanedioate

bis[(Z)-non-3-enyl] hexanedioate (PubChem CID 91712114) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is bis[(Z)-non-3-enyl] hexanedioate.

Molecular Properties

Compound Namebis[(Z)-non-3-enyl] hexanedioate
PubChem CID91712114
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Namebis[(Z)-non-3-enyl] hexanedioate
SMILESCCCCC/C=C\CCOC(=O)CCCCC(=O)OCC/C=C\CCCCC
InChIInChI=1S/C24H42O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h11-14H,3-10,15-22H2,1-2H3/b13-11-,14-12-
InChIKeyHNNPXSADHNHQPV-XSYHWHKQSA-N
XLogP6.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.69
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[(Z)-non-3-enyl] hexanedioate?
The IUPAC name of bis[(Z)-non-3-enyl] hexanedioate (CID 91712114) is bis[(Z)-non-3-enyl] hexanedioate.
What is the SMILES notation for bis[(Z)-non-3-enyl] hexanedioate?
The canonical SMILES for bis[(Z)-non-3-enyl] hexanedioate is CCCCC/C=C\CCOC(=O)CCCCC(=O)OCC/C=C\CCCCC.
What is the InChIKey of bis[(Z)-non-3-enyl] hexanedioate?
The InChIKey is HNNPXSADHNHQPV-XSYHWHKQSA-N. The full InChI is InChI=1S/C24H42O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h11-14H,3-10,15-22H2,1-2H3/b13-11-,14-12-.
What are the key properties of bis[(Z)-non-3-enyl] hexanedioate?
bis[(Z)-non-3-enyl] hexanedioate has a molecular weight of 394.60 g/mol, XLogP of 6.69, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-non-3-enyl] hexanedioate is sourced from PubChem (CID 91712114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).