methyl tetradeca-10,11-dienoate

C15H26O2 — CID 91694384

IUPACmethyl tetradeca-10,11-dienoate
SMILESCCC=C=CCCCCCCCCC(=O)OC
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4,6H,3,7-14H2,1-2H3
InChIKeyWUTSRWOBMGPOSQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.40
Rot. Bonds10

About methyl tetradeca-10,11-dienoate

methyl tetradeca-10,11-dienoate (PubChem CID 91694384) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl tetradeca-10,11-dienoate.

Molecular Properties

Compound Namemethyl tetradeca-10,11-dienoate
PubChem CID91694384
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl tetradeca-10,11-dienoate
SMILESCCC=C=CCCCCCCCCC(=O)OC
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4,6H,3,7-14H2,1-2H3
InChIKeyWUTSRWOBMGPOSQ-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl tetradeca-10,11-dienoate 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

methyl (Z)-octadec-15-enoate
CID 12963319
dimethyl (E)-triacont-15-enedioate
CID 10767955
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
methyl 10-oxodecanoate
CID 519005
methyl 13-oxotridecanoate
CID 10331995
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-octadec-9-enoate
CID 5364509

Frequently Asked Questions

What is the IUPAC name of methyl tetradeca-10,11-dienoate?
The IUPAC name of methyl tetradeca-10,11-dienoate (CID 91694384) is methyl tetradeca-10,11-dienoate.
What is the SMILES notation for methyl tetradeca-10,11-dienoate?
The canonical SMILES for methyl tetradeca-10,11-dienoate is CCC=C=CCCCCCCCCC(=O)OC.
What is the InChIKey of methyl tetradeca-10,11-dienoate?
The InChIKey is WUTSRWOBMGPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4,6H,3,7-14H2,1-2H3.
What are the key properties of methyl tetradeca-10,11-dienoate?
methyl tetradeca-10,11-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tetradeca-10,11-dienoate is sourced from PubChem (CID 91694384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).