[(E)-dec-3-enyl] (E)-dec-5-enoate

C20H36O2 — CID 172558184

IUPAC[(E)-dec-3-enyl] (E)-dec-5-enoate
SMILESCCCC/C=C/CCCC(=O)OCC/C=C/CCCCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h10,12-13,15H,3-9,11,14,16-19H2,1-2H3/b12-10+,15-13+
InChIKeyYUTSBQFJSACMNS-OYVSTQIOSA-N
MW308.51 g/mol
LogP6.36
Rot. Bonds15

About [(E)-dec-3-enyl] (E)-dec-5-enoate

[(E)-dec-3-enyl] (E)-dec-5-enoate (PubChem CID 172558184) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is [(E)-dec-3-enyl] (E)-dec-5-enoate.

Molecular Properties

Compound Name[(E)-dec-3-enyl] (E)-dec-5-enoate
PubChem CID172558184
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name[(E)-dec-3-enyl] (E)-dec-5-enoate
SMILESCCCC/C=C/CCCC(=O)OCC/C=C/CCCCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h10,12-13,15H,3-9,11,14,16-19H2,1-2H3/b12-10+,15-13+
InChIKeyYUTSBQFJSACMNS-OYVSTQIOSA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
1-O-octyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91705732
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684
1-O-pentyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91708813
hentriacontyl (Z)-tetradec-9-enoate
CID 166098214
[(E)-octadec-9-enyl] (Z)-tetradec-9-enoate
CID 91750325
tritriacontyl (Z)-tetradec-9-enoate
CID 166098560
octadecyl (E)-hexadec-11-enoate
CID 42607326
butyl undec-5-enoate
CID 123460322
[(Z)-non-3-enyl] butanoate
CID 175318305
[(Z)-non-3-enyl] 8-hydroxyoctanoate
CID 172621176
tetracosyl (Z)-icos-11-enoate
CID 72710761

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-3-enyl] (E)-dec-5-enoate?
The IUPAC name of [(E)-dec-3-enyl] (E)-dec-5-enoate (CID 172558184) is [(E)-dec-3-enyl] (E)-dec-5-enoate.
What is the SMILES notation for [(E)-dec-3-enyl] (E)-dec-5-enoate?
The canonical SMILES for [(E)-dec-3-enyl] (E)-dec-5-enoate is CCCC/C=C/CCCC(=O)OCC/C=C/CCCCCC.
What is the InChIKey of [(E)-dec-3-enyl] (E)-dec-5-enoate?
The InChIKey is YUTSBQFJSACMNS-OYVSTQIOSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h10,12-13,15H,3-9,11,14,16-19H2,1-2H3/b12-10+,15-13+.
What are the key properties of [(E)-dec-3-enyl] (E)-dec-5-enoate?
[(E)-dec-3-enyl] (E)-dec-5-enoate has a molecular weight of 308.51 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-3-enyl] (E)-dec-5-enoate is sourced from PubChem (CID 172558184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).