(2E,4E)-5-methyldodeca-2,4-diene

C13H24 — CID 143978306

IUPAC(2E,4E)-5-methyldodeca-2,4-diene
SMILESC/C=C/C=C(\C)CCCCCCC
InChIInChI=1S/C13H24/c1-4-6-8-9-10-12-13(3)11-7-5-2/h5,7,11H,4,6,8-10,12H2,1-3H3/b7-5+,13-11+
InChIKeyMTYZQTFMTQUUEO-KNVWVLGRSA-N
MW180.34 g/mol
LogP4.87
Rot. Bonds7

About (2E,4E)-5-methyldodeca-2,4-diene

(2E,4E)-5-methyldodeca-2,4-diene (PubChem CID 143978306) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (2E,4E)-5-methyldodeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-5-methyldodeca-2,4-diene
PubChem CID143978306
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(2E,4E)-5-methyldodeca-2,4-diene
SMILESC/C=C/C=C(\C)CCCCCCC
InChIInChI=1S/C13H24/c1-4-6-8-9-10-12-13(3)11-7-5-2/h5,7,11H,4,6,8-10,12H2,1-3H3/b7-5+,13-11+
InChIKeyMTYZQTFMTQUUEO-KNVWVLGRSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
4-methylnona-1,3-diene
CID 71327710
3-methyloct-2-enal
CID 54333143
4-methylheptadec-3-ene
CID 59169426
2-cyano-7-methyltrideca-2,4,6-trienoic acid
CID 54526731

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methyldodeca-2,4-diene?
The IUPAC name of (2E,4E)-5-methyldodeca-2,4-diene (CID 143978306) is (2E,4E)-5-methyldodeca-2,4-diene.
What is the SMILES notation for (2E,4E)-5-methyldodeca-2,4-diene?
The canonical SMILES for (2E,4E)-5-methyldodeca-2,4-diene is C/C=C/C=C(\C)CCCCCCC.
What is the InChIKey of (2E,4E)-5-methyldodeca-2,4-diene?
The InChIKey is MTYZQTFMTQUUEO-KNVWVLGRSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-8-9-10-12-13(3)11-7-5-2/h5,7,11H,4,6,8-10,12H2,1-3H3/b7-5+,13-11+.
What are the key properties of (2E,4E)-5-methyldodeca-2,4-diene?
(2E,4E)-5-methyldodeca-2,4-diene has a molecular weight of 180.34 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methyldodeca-2,4-diene is sourced from PubChem (CID 143978306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).