[(E)-pent-3-enyl] (E)-undec-9-enoate

C16H28O2 — CID 155355570

IUPAC[(E)-pent-3-enyl] (E)-undec-9-enoate
SMILESC/C=C/CCCCCCCC(=O)OCC/C=C/C
InChIInChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-6H,7-15H2,1-2H3/b5-3+,6-4+
InChIKeyWUUVETNOGCJLTJ-GGWOSOGESA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About [(E)-pent-3-enyl] (E)-undec-9-enoate

[(E)-pent-3-enyl] (E)-undec-9-enoate (PubChem CID 155355570) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(E)-pent-3-enyl] (E)-undec-9-enoate.

Molecular Properties

Compound Name[(E)-pent-3-enyl] (E)-undec-9-enoate
PubChem CID155355570
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(E)-pent-3-enyl] (E)-undec-9-enoate
SMILESC/C=C/CCCCCCCC(=O)OCC/C=C/C
InChIInChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-6H,7-15H2,1-2H3/b5-3+,6-4+
InChIKeyWUUVETNOGCJLTJ-GGWOSOGESA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
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

pent-3-enyl (E)-dodec-10-enoate
CID 155355573
hex-4-enyl (E)-non-7-enoate
CID 155355569
2-hydroxyethyl (Z)-undec-9-enoate
CID 89085780
butyl (E)-pentadec-13-enoate
CID 88959332
butyl (E)-dodec-10-enoate
CID 88959354
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
[(Z)-non-7-enyl] (E)-6-methyloct-6-enoate
CID 163319800
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684
8-methylnonyl (E)-undec-9-enoate
CID 130425316
bis(2-methoxyethyl) octadec-9-enedioate
CID 123139794

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-enyl] (E)-undec-9-enoate?
The IUPAC name of [(E)-pent-3-enyl] (E)-undec-9-enoate (CID 155355570) is [(E)-pent-3-enyl] (E)-undec-9-enoate.
What is the SMILES notation for [(E)-pent-3-enyl] (E)-undec-9-enoate?
The canonical SMILES for [(E)-pent-3-enyl] (E)-undec-9-enoate is C/C=C/CCCCCCCC(=O)OCC/C=C/C.
What is the InChIKey of [(E)-pent-3-enyl] (E)-undec-9-enoate?
The InChIKey is WUUVETNOGCJLTJ-GGWOSOGESA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-6H,7-15H2,1-2H3/b5-3+,6-4+.
What are the key properties of [(E)-pent-3-enyl] (E)-undec-9-enoate?
[(E)-pent-3-enyl] (E)-undec-9-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-enyl] (E)-undec-9-enoate is sourced from PubChem (CID 155355570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).