(4E)-5-methylundeca-1,4-diene

C12H22 — CID 11126649

IUPAC(4E)-5-methylundeca-1,4-diene
SMILESC=CC/C=C(\C)CCCCCC
InChIInChI=1S/C12H22/c1-4-6-8-9-11-12(3)10-7-5-2/h5,10H,2,4,6-9,11H2,1,3H3/b12-10+
InChIKeyOENATUKKMDBXSX-ZRDIBKRKSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (4E)-5-methylundeca-1,4-diene

(4E)-5-methylundeca-1,4-diene (PubChem CID 11126649) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4E)-5-methylundeca-1,4-diene.

Molecular Properties

Compound Name(4E)-5-methylundeca-1,4-diene
PubChem CID11126649
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4E)-5-methylundeca-1,4-diene
SMILESC=CC/C=C(\C)CCCCCC
InChIInChI=1S/C12H22/c1-4-6-8-9-11-12(3)10-7-5-2/h5,10H,2,4,6-9,11H2,1,3H3/b12-10+
InChIKeyOENATUKKMDBXSX-ZRDIBKRKSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E)-5-methylundeca-1,4-diene 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

3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
4-methylheptadec-3-ene
CID 59169426
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
7-methyldodeca-3,6-diene
CID 140972090
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
3-methyldec-2-ene
CID 550799
(E)-3-methylnonadec-2-ene
CID 23160392
(E)-3-methyltridec-2-ene
CID 22000795

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylundeca-1,4-diene?
The IUPAC name of (4E)-5-methylundeca-1,4-diene (CID 11126649) is (4E)-5-methylundeca-1,4-diene.
What is the SMILES notation for (4E)-5-methylundeca-1,4-diene?
The canonical SMILES for (4E)-5-methylundeca-1,4-diene is C=CC/C=C(\C)CCCCCC.
What is the InChIKey of (4E)-5-methylundeca-1,4-diene?
The InChIKey is OENATUKKMDBXSX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-8-9-11-12(3)10-7-5-2/h5,10H,2,4,6-9,11H2,1,3H3/b12-10+.
What are the key properties of (4E)-5-methylundeca-1,4-diene?
(4E)-5-methylundeca-1,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylundeca-1,4-diene is sourced from PubChem (CID 11126649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).