methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate

C17H26O2 — CID 22366859

IUPACmethyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate
SMILESCOC(=O)C1C/C=C\C=C\CCCC/C(C)=C/CC1
InChIInChI=1S/C17H26O2/c1-15-11-8-6-4-3-5-7-9-13-16(14-10-12-15)17(18)19-2/h3,5,7,9,12,16H,4,6,8,10-11,13-14H2,1-2H3/b5-3+,9-7-,15-12+
InChIKeyNJKILHFACVRMON-RMVNFQQISA-N
MW262.39 g/mol
LogP4.58
Rot. Bonds1

About methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate

methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate (PubChem CID 22366859) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate
PubChem CID22366859
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namemethyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate
SMILESCOC(=O)C1C/C=C\C=C\CCCC/C(C)=C/CC1
InChIInChI=1S/C17H26O2/c1-15-11-8-6-4-3-5-7-9-13-16(14-10-12-15)17(18)19-2/h3,5,7,9,12,16H,4,6,8,10-11,13-14H2,1-2H3/b5-3+,9-7-,15-12+
InChIKeyNJKILHFACVRMON-RMVNFQQISA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate?
The IUPAC name of methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate (CID 22366859) is methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate.
What is the SMILES notation for methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate?
The canonical SMILES for methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate is COC(=O)C1C/C=C\C=C\CCCC/C(C)=C/CC1.
What is the InChIKey of methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate?
The InChIKey is NJKILHFACVRMON-RMVNFQQISA-N. The full InChI is InChI=1S/C17H26O2/c1-15-11-8-6-4-3-5-7-9-13-16(14-10-12-15)17(18)19-2/h3,5,7,9,12,16H,4,6,8,10-11,13-14H2,1-2H3/b5-3+,9-7-,15-12+.
What are the key properties of methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate?
methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,5E,11E)-11-methylcyclotetradeca-3,5,11-triene-1-carboxylate is sourced from PubChem (CID 22366859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).