2-methylhexadecane

C17H36 — CID 15266

IUPAC2-methylhexadecane
SMILESCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3
InChIKeyFNWWOHKUXFTKGN-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.73
Rot. Bonds13

About 2-methylhexadecane

2-methylhexadecane (PubChem CID 15266) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2-methylhexadecane.

Molecular Properties

Compound Name2-methylhexadecane
PubChem CID15266
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2-methylhexadecane
SMILESCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3
InChIKeyFNWWOHKUXFTKGN-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.73
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
2-Methylundecane
CID 23459
Farnesane
CID 19773
2-Methylnonane
CID 13379
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
3-Methylnonane
CID 22202

Frequently Asked Questions

What is the IUPAC name of 2-methylhexadecane?
The IUPAC name of 2-methylhexadecane (CID 15266) is 2-methylhexadecane.
What is the SMILES notation for 2-methylhexadecane?
The canonical SMILES for 2-methylhexadecane is CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methylhexadecane?
The InChIKey is FNWWOHKUXFTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 2-methylhexadecane?
2-methylhexadecane has a molecular weight of 240.47 g/mol, XLogP of 6.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexadecane is sourced from PubChem (CID 15266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).