11,15-dimethylheptacosane

C29H60 — CID 6430046

IUPAC11,15-dimethylheptacosane
SMILESCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC
InChIInChI=1S/C29H60/c1-5-7-9-11-13-15-16-18-20-22-25-29(4)27-23-26-28(3)24-21-19-17-14-12-10-8-6-2/h28-29H,5-27H2,1-4H3
InChIKeyBBURCSMCPAGRGJ-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.27
Rot. Bonds24

About 11,15-dimethylheptacosane

11,15-dimethylheptacosane (PubChem CID 6430046) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 11,15-dimethylheptacosane.

Molecular Properties

Compound Name11,15-dimethylheptacosane
PubChem CID6430046
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name11,15-dimethylheptacosane
SMILESCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC
InChIInChI=1S/C29H60/c1-5-7-9-11-13-15-16-18-20-22-25-29(4)27-23-26-28(3)24-21-19-17-14-12-10-8-6-2/h28-29H,5-27H2,1-4H3
InChIKeyBBURCSMCPAGRGJ-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11,15-dimethylheptacosane 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

7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of 11,15-dimethylheptacosane?
The IUPAC name of 11,15-dimethylheptacosane (CID 6430046) is 11,15-dimethylheptacosane.
What is the SMILES notation for 11,15-dimethylheptacosane?
The canonical SMILES for 11,15-dimethylheptacosane is CCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC.
What is the InChIKey of 11,15-dimethylheptacosane?
The InChIKey is BBURCSMCPAGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/c1-5-7-9-11-13-15-16-18-20-22-25-29(4)27-23-26-28(3)24-21-19-17-14-12-10-8-6-2/h28-29H,5-27H2,1-4H3.
What are the key properties of 11,15-dimethylheptacosane?
11,15-dimethylheptacosane has a molecular weight of 408.80 g/mol, XLogP of 11.27, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethylheptacosane is sourced from PubChem (CID 6430046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).