2-methyldodecane

C13H28 — CID 15270

IUPAC2-methyldodecane
SMILESCCCCCCCCCCC(C)C
InChIInChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyHGEMCUOAMCILCP-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds9

About 2-methyldodecane

2-methyldodecane (PubChem CID 15270) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2-methyldodecane.

Molecular Properties

Compound Name2-methyldodecane
PubChem CID15270
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2-methyldodecane
SMILESCCCCCCCCCCC(C)C
InChIInChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyHGEMCUOAMCILCP-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.17
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-methyldodecane?
The IUPAC name of 2-methyldodecane (CID 15270) is 2-methyldodecane.
What is the SMILES notation for 2-methyldodecane?
The canonical SMILES for 2-methyldodecane is CCCCCCCCCCC(C)C.
What is the InChIKey of 2-methyldodecane?
The InChIKey is HGEMCUOAMCILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 2-methyldodecane?
2-methyldodecane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecane is sourced from PubChem (CID 15270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).