2,6,10-trimethylpentadecane

C18H38 — CID 19775

IUPAC2,6,10-trimethylpentadecane
SMILESCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyLBWPYRZGHYVSEL-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds12

About 2,6,10-trimethylpentadecane

2,6,10-trimethylpentadecane (PubChem CID 19775) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,6,10-trimethylpentadecane.

Molecular Properties

Compound Name2,6,10-trimethylpentadecane
PubChem CID19775
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,6,10-trimethylpentadecane
SMILESCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyLBWPYRZGHYVSEL-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
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 2,6,10-trimethylpentadecane?
The IUPAC name of 2,6,10-trimethylpentadecane (CID 19775) is 2,6,10-trimethylpentadecane.
What is the SMILES notation for 2,6,10-trimethylpentadecane?
The canonical SMILES for 2,6,10-trimethylpentadecane is CCCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,10-trimethylpentadecane?
The InChIKey is LBWPYRZGHYVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3.
What are the key properties of 2,6,10-trimethylpentadecane?
2,6,10-trimethylpentadecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethylpentadecane is sourced from PubChem (CID 19775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).