2-methyltridecane

C14H30 — CID 15269

IUPAC2-methyltridecane
SMILESCCCCCCCCCCCC(C)C
InChIInChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3
InChIKeyCJBFZKZYIPBBTO-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.56
Rot. Bonds10

About 2-methyltridecane

2-methyltridecane (PubChem CID 15269) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2-methyltridecane.

Molecular Properties

Compound Name2-methyltridecane
PubChem CID15269
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2-methyltridecane
SMILESCCCCCCCCCCCC(C)C
InChIInChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3
InChIKeyCJBFZKZYIPBBTO-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.56
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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Related Compounds

Pristane
CID 15979
2-Methylheptane
CID 11594
2-Methyldecane
CID 23415
Squalane
CID 8089
Phytane
CID 12523
2-Methyloctane
CID 18591
4-Methylheptane
CID 11512
3-Methylheptane
CID 11519
Pentylcyclohexane
CID 20284
2-Methylundecane
CID 23459
Farnesane
CID 19773
2,5-Dimethylhexane
CID 11592

Frequently Asked Questions

What is the IUPAC name of 2-methyltridecane?
The IUPAC name of 2-methyltridecane (CID 15269) is 2-methyltridecane.
What is the SMILES notation for 2-methyltridecane?
The canonical SMILES for 2-methyltridecane is CCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methyltridecane?
The InChIKey is CJBFZKZYIPBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 2-methyltridecane?
2-methyltridecane has a molecular weight of 198.39 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridecane is sourced from PubChem (CID 15269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).