[(E)-undec-2-enyl] 5-chloropentanoate

C16H29ClO2 — CID 5353034

IUPAC[(E)-undec-2-enyl] 5-chloropentanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCCCl
InChIInChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+
InChIKeyMMBYQPWSFIURFR-FMIVXFBMSA-N
MW288.86 g/mol
LogP5.25
Rot. Bonds13

About [(E)-undec-2-enyl] 5-chloropentanoate

[(E)-undec-2-enyl] 5-chloropentanoate (PubChem CID 5353034) has the molecular formula C16H29ClO2 and a molecular weight of 288.86 g/mol. Its IUPAC name is [(E)-undec-2-enyl] 5-chloropentanoate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] 5-chloropentanoate
PubChem CID5353034
Molecular FormulaC16H29ClO2
Molecular Weight288.86 g/mol
Exact Mass288.19
IUPAC Name[(E)-undec-2-enyl] 5-chloropentanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCCCl
InChIInChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+
InChIKeyMMBYQPWSFIURFR-FMIVXFBMSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.86
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-undec-2-enyl] 5-chloropentanoate 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

ethyl (E)-7-acetyloxy-4-chlorohept-5-enoate
CID 134980785
5-Chlorovaleric acid, oct-3-en-2-yl ester
CID 5353033
Valeric acid, undec-2-enyl ester
CID 5353037
3-Chloropropionic acid, undec-2-enyl ester
CID 5353112
Succinic acid, 8-chlorooctyl cis-pent-2-en-1-yl ester
CID 91701780
Succinic acid, 8-chlorooctyl cis-hex-2-en-1-yl ester
CID 91701887
Succinic acid, dodec-2-en-1-yl 10-chlorodecyl ester
CID 91702125
Glutaric acid, dodec-2-en-1-yl 10-chlorodecyl ester
CID 91705618
Glutaric acid, dodec-2-en-1-yl 8-chlorooctyl ester
CID 91705655
Glutaric acid, pent-2-en-1-yl 8-chlorooctyl ester
CID 91706461
Glutaric acid, hex-2-en-1-yl 8-chlorooctyl ester
CID 91707104
5-Chloropentyl oleate
CID 129805579

Frequently Asked Questions

What is the IUPAC name of [(E)-undec-2-enyl] 5-chloropentanoate?
The IUPAC name of [(E)-undec-2-enyl] 5-chloropentanoate (CID 5353034) is [(E)-undec-2-enyl] 5-chloropentanoate.
What is the SMILES notation for [(E)-undec-2-enyl] 5-chloropentanoate?
The canonical SMILES for [(E)-undec-2-enyl] 5-chloropentanoate is CCCCCCCC/C=C/COC(=O)CCCCCl.
What is the InChIKey of [(E)-undec-2-enyl] 5-chloropentanoate?
The InChIKey is MMBYQPWSFIURFR-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+.
What are the key properties of [(E)-undec-2-enyl] 5-chloropentanoate?
[(E)-undec-2-enyl] 5-chloropentanoate has a molecular weight of 288.86 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] 5-chloropentanoate is sourced from PubChem (CID 5353034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).