2,6,13-trimethylpentadecane

C18H38 — CID 123742386

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

About 2,6,13-trimethylpentadecane

2,6,13-trimethylpentadecane (PubChem CID 123742386) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,6,13-trimethylpentadecane.

Molecular Properties

Compound Name2,6,13-trimethylpentadecane
PubChem CID123742386
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,6,13-trimethylpentadecane
SMILESCCC(C)CCCCCCC(C)CCCC(C)C
InChIInChI=1S/C18H38/c1-6-17(4)13-9-7-8-10-14-18(5)15-11-12-16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyUYRCJZLHPBKKLI-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

2,6,10,15,19-pentamethylhenicosane
CID 6428617
2,11,23-trimethylpentacosane
CID 123728262
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
3,7,15-trimethylnonacosane
CID 6430417
2,9,13-trimethylhexadecane
CID 123827297
2,6-dimethyltriacontane
CID 526581
2,6-dimethylicosane
CID 54262109
2,6,10-trimethyldocosane
CID 175986851
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066

Frequently Asked Questions

What is the IUPAC name of 2,6,13-trimethylpentadecane?
The IUPAC name of 2,6,13-trimethylpentadecane (CID 123742386) is 2,6,13-trimethylpentadecane.
What is the SMILES notation for 2,6,13-trimethylpentadecane?
The canonical SMILES for 2,6,13-trimethylpentadecane is CCC(C)CCCCCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,13-trimethylpentadecane?
The InChIKey is UYRCJZLHPBKKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-17(4)13-9-7-8-10-14-18(5)15-11-12-16(2)3/h16-18H,6-15H2,1-5H3.
What are the key properties of 2,6,13-trimethylpentadecane?
2,6,13-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 2,6,13-trimethylpentadecane is sourced from PubChem (CID 123742386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).