10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate

C24H44O4 — CID 91712371

IUPAC10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate
SMILESCCCCC/C=C\CCOC(=O)CCCCCCCCC(=O)OCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11-
InChIKeyYGJDSBUVWVZMEW-KAMYIIQDSA-N
MW396.61 g/mol
LogP6.91
Rot. Bonds20

About 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate

10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate (PubChem CID 91712371) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate.

Molecular Properties

Compound Name10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate
PubChem CID91712371
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate
SMILESCCCCC/C=C\CCOC(=O)CCCCCCCCC(=O)OCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11-
InChIKeyYGJDSBUVWVZMEW-KAMYIIQDSA-N
XLogP6.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 56.91
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'}

Analyze 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate?
The IUPAC name of 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate (CID 91712371) is 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate.
What is the SMILES notation for 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate?
The canonical SMILES for 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate is CCCCC/C=C\CCOC(=O)CCCCCCCCC(=O)OCCCCC.
What is the InChIKey of 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate?
The InChIKey is YGJDSBUVWVZMEW-KAMYIIQDSA-N. The full InChI is InChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11-.
What are the key properties of 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate?
10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate has a molecular weight of 396.61 g/mol, XLogP of 6.91, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-[(Z)-non-3-enyl] 1-O-pentyl decanedioate is sourced from PubChem (CID 91712371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).