pent-3-enyl (E)-dodec-10-enoate

C17H30O2 — CID 155355573

IUPACpent-3-enyl (E)-dodec-10-enoate
SMILESCC=CCCOC(=O)CCCCCCCC/C=C/C
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4?
InChIKeyZYDFFNSAMHNUMA-UHMKDZKBSA-N
MW266.43 g/mol
LogP5.19
Rot. Bonds12

About pent-3-enyl (E)-dodec-10-enoate

pent-3-enyl (E)-dodec-10-enoate (PubChem CID 155355573) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is pent-3-enyl (E)-dodec-10-enoate.

Molecular Properties

Compound Namepent-3-enyl (E)-dodec-10-enoate
PubChem CID155355573
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Namepent-3-enyl (E)-dodec-10-enoate
SMILESCC=CCCOC(=O)CCCCCCCC/C=C/C
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4?
InChIKeyZYDFFNSAMHNUMA-UHMKDZKBSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.19
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'}

Analyze pent-3-enyl (E)-dodec-10-enoate with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
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 pent-3-enyl (E)-dodec-10-enoate?
The IUPAC name of pent-3-enyl (E)-dodec-10-enoate (CID 155355573) is pent-3-enyl (E)-dodec-10-enoate.
What is the SMILES notation for pent-3-enyl (E)-dodec-10-enoate?
The canonical SMILES for pent-3-enyl (E)-dodec-10-enoate is CC=CCCOC(=O)CCCCCCCC/C=C/C.
What is the InChIKey of pent-3-enyl (E)-dodec-10-enoate?
The InChIKey is ZYDFFNSAMHNUMA-UHMKDZKBSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4?.
What are the key properties of pent-3-enyl (E)-dodec-10-enoate?
pent-3-enyl (E)-dodec-10-enoate has a molecular weight of 266.43 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enyl (E)-dodec-10-enoate is sourced from PubChem (CID 155355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).