[(E)-but-1-enyl] dec-9-enoate

C14H24O2 — CID 140786901

IUPAC[(E)-but-1-enyl] dec-9-enoate
SMILESC=CCCCCCCCC(=O)O/C=C/CC
InChIInChI=1S/C14H24O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3,6,13H,1,4-5,7-12H2,2H3/b13-6+
InChIKeyXOCKPZKOIHWLAC-AWNIVKPZSA-N
MW224.34 g/mol
LogP4.37
Rot. Bonds10

About [(E)-but-1-enyl] dec-9-enoate

[(E)-but-1-enyl] dec-9-enoate (PubChem CID 140786901) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(E)-but-1-enyl] dec-9-enoate.

Molecular Properties

Compound Name[(E)-but-1-enyl] dec-9-enoate
PubChem CID140786901
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(E)-but-1-enyl] dec-9-enoate
SMILESC=CCCCCCCCC(=O)O/C=C/CC
InChIInChI=1S/C14H24O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3,6,13H,1,4-5,7-12H2,2H3/b13-6+
InChIKeyXOCKPZKOIHWLAC-AWNIVKPZSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-but-1-enyl] dec-9-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

bis(but-1-enyl) hexanedioate
CID 154102434
[(E)-but-1-enyl] (Z)-octadec-9-enoate
CID 140786894
azane;[(E)-but-1-enyl] octadecanoate;ethene
CID 173420288
10-but-1-enoxy-10-oxodecanoic acid
CID 141244571
hex-3-enyl dec-9-enoate
CID 139415626
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
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
undec-1-enyl pentanoate
CID 150139235
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl] dec-9-enoate?
The IUPAC name of [(E)-but-1-enyl] dec-9-enoate (CID 140786901) is [(E)-but-1-enyl] dec-9-enoate.
What is the SMILES notation for [(E)-but-1-enyl] dec-9-enoate?
The canonical SMILES for [(E)-but-1-enyl] dec-9-enoate is C=CCCCCCCCC(=O)O/C=C/CC.
What is the InChIKey of [(E)-but-1-enyl] dec-9-enoate?
The InChIKey is XOCKPZKOIHWLAC-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3,6,13H,1,4-5,7-12H2,2H3/b13-6+.
What are the key properties of [(E)-but-1-enyl] dec-9-enoate?
[(E)-but-1-enyl] dec-9-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl] dec-9-enoate is sourced from PubChem (CID 140786901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).