4,8,14-trimethyltetratriacontane

C37H76 — CID 6431076

IUPAC4,8,14-trimethyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC(C)CCC
InChIInChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-36(4)31-26-24-27-32-37(5)34-28-33-35(3)29-7-2/h35-37H,6-34H2,1-5H3
InChIKeyUPENRLAVGYQLGZ-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.25
Rot. Bonds31

About 4,8,14-trimethyltetratriacontane

4,8,14-trimethyltetratriacontane (PubChem CID 6431076) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 4,8,14-trimethyltetratriacontane.

Molecular Properties

Compound Name4,8,14-trimethyltetratriacontane
PubChem CID6431076
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name4,8,14-trimethyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC(C)CCC
InChIInChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-36(4)31-26-24-27-32-37(5)34-28-33-35(3)29-7-2/h35-37H,6-34H2,1-5H3
InChIKeyUPENRLAVGYQLGZ-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 514.25
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
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
10,14,18-trimethyldotriacontane
CID 86017574
15,19-dimethylpentatriacontane
CID 521781
7,11-dimethylpentatriacontane
CID 6430674

Frequently Asked Questions

What is the IUPAC name of 4,8,14-trimethyltetratriacontane?
The IUPAC name of 4,8,14-trimethyltetratriacontane (CID 6431076) is 4,8,14-trimethyltetratriacontane.
What is the SMILES notation for 4,8,14-trimethyltetratriacontane?
The canonical SMILES for 4,8,14-trimethyltetratriacontane is CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC(C)CCC.
What is the InChIKey of 4,8,14-trimethyltetratriacontane?
The InChIKey is UPENRLAVGYQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-36(4)31-26-24-27-32-37(5)34-28-33-35(3)29-7-2/h35-37H,6-34H2,1-5H3.
What are the key properties of 4,8,14-trimethyltetratriacontane?
4,8,14-trimethyltetratriacontane has a molecular weight of 521.02 g/mol, XLogP of 14.25, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,14-trimethyltetratriacontane is sourced from PubChem (CID 6431076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).