methyl (2E)-2,10-dimethylundeca-2,10-dienoate

C14H24O2 — CID 12032274

IUPACmethyl (2E)-2,10-dimethylundeca-2,10-dienoate
SMILESC=C(C)CCCCCC/C=C(\C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-12(2)10-8-6-5-7-9-11-13(3)14(15)16-4/h11H,1,5-10H2,2-4H3/b13-11+
InChIKeyCDBNAHAAXIRMLD-ACCUITESSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds8

About methyl (2E)-2,10-dimethylundeca-2,10-dienoate

methyl (2E)-2,10-dimethylundeca-2,10-dienoate (PubChem CID 12032274) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl (2E)-2,10-dimethylundeca-2,10-dienoate.

Molecular Properties

Compound Namemethyl (2E)-2,10-dimethylundeca-2,10-dienoate
PubChem CID12032274
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl (2E)-2,10-dimethylundeca-2,10-dienoate
SMILESC=C(C)CCCCCC/C=C(\C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-12(2)10-8-6-5-7-9-11-13(3)14(15)16-4/h11H,1,5-10H2,2-4H3/b13-11+
InChIKeyCDBNAHAAXIRMLD-ACCUITESSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2E)-2,10-dimethylundeca-2,10-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 geranate
CID 5365910
Geranyl tiglate
CID 5367785
Ethyl 2-decenoate, (2E)-
CID 5463904
Methyl 2-nonenoate
CID 5368076
Methyl oct-2-enoate
CID 5364532
Butyl 2-decenoate
CID 5463906
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
2-Octenoic acid, methyl ester
CID 61313
Methyl farnesoate
CID 5275508
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
Methyl dec-2-enoate
CID 81834
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2,10-dimethylundeca-2,10-dienoate?
The IUPAC name of methyl (2E)-2,10-dimethylundeca-2,10-dienoate (CID 12032274) is methyl (2E)-2,10-dimethylundeca-2,10-dienoate.
What is the SMILES notation for methyl (2E)-2,10-dimethylundeca-2,10-dienoate?
The canonical SMILES for methyl (2E)-2,10-dimethylundeca-2,10-dienoate is C=C(C)CCCCCC/C=C(\C)C(=O)OC.
What is the InChIKey of methyl (2E)-2,10-dimethylundeca-2,10-dienoate?
The InChIKey is CDBNAHAAXIRMLD-ACCUITESSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)10-8-6-5-7-9-11-13(3)14(15)16-4/h11H,1,5-10H2,2-4H3/b13-11+.
What are the key properties of methyl (2E)-2,10-dimethylundeca-2,10-dienoate?
methyl (2E)-2,10-dimethylundeca-2,10-dienoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2,10-dimethylundeca-2,10-dienoate is sourced from PubChem (CID 12032274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).