2-methyldodeca-2,3-diene

C13H24 — CID 12632752

IUPAC2-methyldodeca-2,3-diene
SMILESCCCCCCCCC=C=C(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h11H,4-10H2,1-3H3
InChIKeyMPHFOUHMXPIEPH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.86
Rot. Bonds7

About 2-methyldodeca-2,3-diene

2-methyldodeca-2,3-diene (PubChem CID 12632752) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methyldodeca-2,3-diene.

Molecular Properties

Compound Name2-methyldodeca-2,3-diene
PubChem CID12632752
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methyldodeca-2,3-diene
SMILESCCCCCCCCC=C=C(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h11H,4-10H2,1-3H3
InChIKeyMPHFOUHMXPIEPH-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyldodeca-2,3-diene?
The IUPAC name of 2-methyldodeca-2,3-diene (CID 12632752) is 2-methyldodeca-2,3-diene.
What is the SMILES notation for 2-methyldodeca-2,3-diene?
The canonical SMILES for 2-methyldodeca-2,3-diene is CCCCCCCCC=C=C(C)C.
What is the InChIKey of 2-methyldodeca-2,3-diene?
The InChIKey is MPHFOUHMXPIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-methyldodeca-2,3-diene?
2-methyldodeca-2,3-diene has a molecular weight of 180.33 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodeca-2,3-diene is sourced from PubChem (CID 12632752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).