(5S,9R)-5,9-dimethylpentadecane

C17H36 — CID 12993532

IUPAC(5S,9R)-5,9-dimethylpentadecane
SMILESCCCCCC[C@@H](C)CCC[C@@H](C)CCCC
InChIInChI=1S/C17H36/c1-5-7-9-10-13-17(4)15-11-14-16(3)12-8-6-2/h16-17H,5-15H2,1-4H3/t16-,17+/m0/s1
InChIKeyXTTUZCLEOCTJKO-DLBZAZTESA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds12

About (5S,9R)-5,9-dimethylpentadecane

(5S,9R)-5,9-dimethylpentadecane (PubChem CID 12993532) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is (5S,9R)-5,9-dimethylpentadecane.

Molecular Properties

Compound Name(5S,9R)-5,9-dimethylpentadecane
PubChem CID12993532
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name(5S,9R)-5,9-dimethylpentadecane
SMILESCCCCCC[C@@H](C)CCC[C@@H](C)CCCC
InChIInChI=1S/C17H36/c1-5-7-9-10-13-17(4)15-11-14-16(3)12-8-6-2/h16-17H,5-15H2,1-4H3/t16-,17+/m0/s1
InChIKeyXTTUZCLEOCTJKO-DLBZAZTESA-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'}

Analyze (5S,9R)-5,9-dimethylpentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
7,11-dimethylpentatriacontane
CID 6430674
5,13,19-trimethylheptatriacontane
CID 172565409
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-5,9-dimethylpentadecane?
The IUPAC name of (5S,9R)-5,9-dimethylpentadecane (CID 12993532) is (5S,9R)-5,9-dimethylpentadecane.
What is the SMILES notation for (5S,9R)-5,9-dimethylpentadecane?
The canonical SMILES for (5S,9R)-5,9-dimethylpentadecane is CCCCCC[C@@H](C)CCC[C@@H](C)CCCC.
What is the InChIKey of (5S,9R)-5,9-dimethylpentadecane?
The InChIKey is XTTUZCLEOCTJKO-DLBZAZTESA-N. The full InChI is InChI=1S/C17H36/c1-5-7-9-10-13-17(4)15-11-14-16(3)12-8-6-2/h16-17H,5-15H2,1-4H3/t16-,17+/m0/s1.
What are the key properties of (5S,9R)-5,9-dimethylpentadecane?
(5S,9R)-5,9-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 (5S,9R)-5,9-dimethylpentadecane is sourced from PubChem (CID 12993532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).