3-methylpentadecane

C16H34 — CID 17899

IUPAC3-methylpentadecane
SMILESCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3
InChIKeyFWXKCXJPHSAYMK-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.34
Rot. Bonds12

About 3-methylpentadecane

3-methylpentadecane (PubChem CID 17899) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3-methylpentadecane.

Molecular Properties

Compound Name3-methylpentadecane
PubChem CID17899
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3-methylpentadecane
SMILESCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3
InChIKeyFWXKCXJPHSAYMK-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.34
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-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
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665

Frequently Asked Questions

What is the IUPAC name of 3-methylpentadecane?
The IUPAC name of 3-methylpentadecane (CID 17899) is 3-methylpentadecane.
What is the SMILES notation for 3-methylpentadecane?
The canonical SMILES for 3-methylpentadecane is CCCCCCCCCCCCC(C)CC.
What is the InChIKey of 3-methylpentadecane?
The InChIKey is FWXKCXJPHSAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3.
What are the key properties of 3-methylpentadecane?
3-methylpentadecane has a molecular weight of 226.45 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentadecane is sourced from PubChem (CID 17899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).