4,9-dimethylpentadecane

C17H36 — CID 123851930

IUPAC4,9-dimethylpentadecane
SMILESCCCCCCC(C)CCCCC(C)CCC
InChIInChI=1S/C17H36/c1-5-7-8-9-13-17(4)15-11-10-14-16(3)12-6-2/h16-17H,5-15H2,1-4H3
InChIKeyODXXKLHRUWQELC-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds12

About 4,9-dimethylpentadecane

4,9-dimethylpentadecane (PubChem CID 123851930) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4,9-dimethylpentadecane.

Molecular Properties

Compound Name4,9-dimethylpentadecane
PubChem CID123851930
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4,9-dimethylpentadecane
SMILESCCCCCCC(C)CCCCC(C)CCC
InChIInChI=1S/C17H36/c1-5-7-8-9-13-17(4)15-11-10-14-16(3)12-6-2/h16-17H,5-15H2,1-4H3
InChIKeyODXXKLHRUWQELC-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
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

4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethylpentadecane?
The IUPAC name of 4,9-dimethylpentadecane (CID 123851930) is 4,9-dimethylpentadecane.
What is the SMILES notation for 4,9-dimethylpentadecane?
The canonical SMILES for 4,9-dimethylpentadecane is CCCCCCC(C)CCCCC(C)CCC.
What is the InChIKey of 4,9-dimethylpentadecane?
The InChIKey is ODXXKLHRUWQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-5-7-8-9-13-17(4)15-11-10-14-16(3)12-6-2/h16-17H,5-15H2,1-4H3.
What are the key properties of 4,9-dimethylpentadecane?
4,9-dimethylpentadecane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylpentadecane is sourced from PubChem (CID 123851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).