undec-1-enyl pentanoate

C16H30O2 — CID 150139235

IUPACundec-1-enyl pentanoate
SMILESCCCCCCCCCC=COC(=O)CCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h13,15H,3-12,14H2,1-2H3
InChIKeyFCXLQIYMMGTUJJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.37
Rot. Bonds12

About undec-1-enyl pentanoate

undec-1-enyl pentanoate (PubChem CID 150139235) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is undec-1-enyl pentanoate.

Molecular Properties

Compound Nameundec-1-enyl pentanoate
PubChem CID150139235
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameundec-1-enyl pentanoate
SMILESCCCCCCCCCC=COC(=O)CCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h13,15H,3-12,14H2,1-2H3
InChIKeyFCXLQIYMMGTUJJ-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze undec-1-enyl pentanoate 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

octadec-1-enyl tetradecanoate
CID 71417711
docos-1-enyl tetradecanoate
CID 141143815
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725
dipotassium;bis(octadec-1-enyl) butanedioate;hydride
CID 174812028
hex-1-enyl hexanoate
CID 54423513
4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid
CID 19733981
[(E)-but-1-enyl] (Z)-octadec-9-enoate
CID 140786894
6-O-bis[(6-oct-1-enoxy-6-oxohexanoyl)oxy]alumanyl 1-O-oct-1-enyl hexanedioate
CID 141289628
pent-1-enyl hexanoate
CID 54364167
dec-1-enyl propanoate
CID 54106013

Frequently Asked Questions

What is the IUPAC name of undec-1-enyl pentanoate?
The IUPAC name of undec-1-enyl pentanoate (CID 150139235) is undec-1-enyl pentanoate.
What is the SMILES notation for undec-1-enyl pentanoate?
The canonical SMILES for undec-1-enyl pentanoate is CCCCCCCCCC=COC(=O)CCCC.
What is the InChIKey of undec-1-enyl pentanoate?
The InChIKey is FCXLQIYMMGTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h13,15H,3-12,14H2,1-2H3.
What are the key properties of undec-1-enyl pentanoate?
undec-1-enyl pentanoate has a molecular weight of 254.41 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-enyl pentanoate is sourced from PubChem (CID 150139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).