10,14,18-trimethyldotriacontane

C35H72 — CID 86017574

IUPAC10,14,18-trimethyldotriacontane
SMILESCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCC
InChIInChI=1S/C35H72/c1-6-8-10-12-14-15-16-17-18-20-22-24-28-34(4)30-26-32-35(5)31-25-29-33(3)27-23-21-19-13-11-9-7-2/h33-35H,6-32H2,1-5H3
InChIKeyBIBNEZGRFBVBBV-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.47
Rot. Bonds29

About 10,14,18-trimethyldotriacontane

10,14,18-trimethyldotriacontane (PubChem CID 86017574) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 10,14,18-trimethyldotriacontane.

Molecular Properties

Compound Name10,14,18-trimethyldotriacontane
PubChem CID86017574
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name10,14,18-trimethyldotriacontane
SMILESCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCC
InChIInChI=1S/C35H72/c1-6-8-10-12-14-15-16-17-18-20-22-24-28-34(4)30-26-32-35(5)31-25-29-33(3)27-23-21-19-13-11-9-7-2/h33-35H,6-32H2,1-5H3
InChIKeyBIBNEZGRFBVBBV-UHFFFAOYSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.47
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

7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
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 10,14,18-trimethyldotriacontane?
The IUPAC name of 10,14,18-trimethyldotriacontane (CID 86017574) is 10,14,18-trimethyldotriacontane.
What is the SMILES notation for 10,14,18-trimethyldotriacontane?
The canonical SMILES for 10,14,18-trimethyldotriacontane is CCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCC.
What is the InChIKey of 10,14,18-trimethyldotriacontane?
The InChIKey is BIBNEZGRFBVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-6-8-10-12-14-15-16-17-18-20-22-24-28-34(4)30-26-32-35(5)31-25-29-33(3)27-23-21-19-13-11-9-7-2/h33-35H,6-32H2,1-5H3.
What are the key properties of 10,14,18-trimethyldotriacontane?
10,14,18-trimethyldotriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.47, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14,18-trimethyldotriacontane is sourced from PubChem (CID 86017574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).