bis(dec-9-enyl) butanedioate

C24H42O4 — CID 15256502

IUPACbis(dec-9-enyl) butanedioate
SMILESC=CCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCC=C
InChIInChI=1S/C24H42O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyPQKFZJXHNIXKBF-UHFFFAOYSA-N
MW394.60 g/mol
LogP6.69
Rot. Bonds21

About bis(dec-9-enyl) butanedioate

bis(dec-9-enyl) butanedioate (PubChem CID 15256502) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is bis(dec-9-enyl) butanedioate.

Molecular Properties

Compound Namebis(dec-9-enyl) butanedioate
PubChem CID15256502
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Namebis(dec-9-enyl) butanedioate
SMILESC=CCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCC=C
InChIInChI=1S/C24H42O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyPQKFZJXHNIXKBF-UHFFFAOYSA-N
XLogP6.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
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(dec-9-enyl) butanedioate?
The IUPAC name of bis(dec-9-enyl) butanedioate (CID 15256502) is bis(dec-9-enyl) butanedioate.
What is the SMILES notation for bis(dec-9-enyl) butanedioate?
The canonical SMILES for bis(dec-9-enyl) butanedioate is C=CCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCC=C.
What is the InChIKey of bis(dec-9-enyl) butanedioate?
The InChIKey is PQKFZJXHNIXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2.
What are the key properties of bis(dec-9-enyl) butanedioate?
bis(dec-9-enyl) butanedioate has a molecular weight of 394.60 g/mol, XLogP of 6.69, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dec-9-enyl) butanedioate is sourced from PubChem (CID 15256502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).