2-methyldeca-1,3,4-triene

C11H18 — CID 12546100

IUPAC2-methyldeca-1,3,4-triene
SMILESC=C(C)C=C=CCCCCC
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h8,10H,2,4-7H2,1,3H3
InChIKeyGRHFGOKSCWGFBI-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.85
Rot. Bonds5

About 2-methyldeca-1,3,4-triene

2-methyldeca-1,3,4-triene (PubChem CID 12546100) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-methyldeca-1,3,4-triene.

Molecular Properties

Compound Name2-methyldeca-1,3,4-triene
PubChem CID12546100
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-methyldeca-1,3,4-triene
SMILESC=C(C)C=C=CCCCCC
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h8,10H,2,4-7H2,1,3H3
InChIKeyGRHFGOKSCWGFBI-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.85
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 2-methyldeca-1,3,4-triene?
The IUPAC name of 2-methyldeca-1,3,4-triene (CID 12546100) is 2-methyldeca-1,3,4-triene.
What is the SMILES notation for 2-methyldeca-1,3,4-triene?
The canonical SMILES for 2-methyldeca-1,3,4-triene is C=C(C)C=C=CCCCCC.
What is the InChIKey of 2-methyldeca-1,3,4-triene?
The InChIKey is GRHFGOKSCWGFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h8,10H,2,4-7H2,1,3H3.
What are the key properties of 2-methyldeca-1,3,4-triene?
2-methyldeca-1,3,4-triene has a molecular weight of 150.26 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldeca-1,3,4-triene is sourced from PubChem (CID 12546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).