(3E,5E)-2-methyldodeca-3,5-diene

C13H24 — CID 5368943

IUPAC(3E,5E)-2-methyldodeca-3,5-diene
SMILESCCCCCC/C=C/C=C/C(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+
InChIKeyHULVBFBDOCMWOT-HULFFUFUSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds7

About (3E,5E)-2-methyldodeca-3,5-diene

(3E,5E)-2-methyldodeca-3,5-diene (PubChem CID 5368943) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3E,5E)-2-methyldodeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-2-methyldodeca-3,5-diene
PubChem CID5368943
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3E,5E)-2-methyldodeca-3,5-diene
SMILESCCCCCC/C=C/C=C/C(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+
InChIKeyHULVBFBDOCMWOT-HULFFUFUSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-methyldodeca-3,5-diene?
The IUPAC name of (3E,5E)-2-methyldodeca-3,5-diene (CID 5368943) is (3E,5E)-2-methyldodeca-3,5-diene.
What is the SMILES notation for (3E,5E)-2-methyldodeca-3,5-diene?
The canonical SMILES for (3E,5E)-2-methyldodeca-3,5-diene is CCCCCC/C=C/C=C/C(C)C.
What is the InChIKey of (3E,5E)-2-methyldodeca-3,5-diene?
The InChIKey is HULVBFBDOCMWOT-HULFFUFUSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+.
What are the key properties of (3E,5E)-2-methyldodeca-3,5-diene?
(3E,5E)-2-methyldodeca-3,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-methyldodeca-3,5-diene is sourced from PubChem (CID 5368943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).