10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate

C23H42O4 — CID 91694622

IUPAC10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC
InChIInChI=1S/C23H42O4/c1-3-5-6-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-4-2/h8,11H,3-7,9-10,12-21H2,1-2H3/b11-8+
InChIKeyOYUDKIKFVGIJGV-DHZHZOJOSA-N
MW382.59 g/mol
LogP6.52
Rot. Bonds19

About 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate

10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate (PubChem CID 91694622) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate.

Molecular Properties

Compound Name10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate
PubChem CID91694622
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC
InChIInChI=1S/C23H42O4/c1-3-5-6-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-4-2/h8,11H,3-7,9-10,12-21H2,1-2H3/b11-8+
InChIKeyOYUDKIKFVGIJGV-DHZHZOJOSA-N
XLogP6.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.52
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 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate?
The IUPAC name of 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate (CID 91694622) is 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate.
What is the SMILES notation for 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate?
The canonical SMILES for 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate is CCCCC/C=C/CCCOC(=O)CCCCCCCCC(=O)OCCC.
What is the InChIKey of 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate?
The InChIKey is OYUDKIKFVGIJGV-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H42O4/c1-3-5-6-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-4-2/h8,11H,3-7,9-10,12-21H2,1-2H3/b11-8+.
What are the key properties of 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate?
10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate has a molecular weight of 382.59 g/mol, XLogP of 6.52, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-[(E)-dec-4-enyl] 1-O-propyl decanedioate is sourced from PubChem (CID 91694622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).