19-ethyl-15-methyltetratriacontane

C37H76 — CID 123150994

IUPAC19-ethyl-15-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCC(CC)CCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-34-37(7-3)35-31-33-36(4)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3
InChIKeyXJSPECAFZNXLRE-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.39
Rot. Bonds32

About 19-ethyl-15-methyltetratriacontane

19-ethyl-15-methyltetratriacontane (PubChem CID 123150994) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 19-ethyl-15-methyltetratriacontane.

Molecular Properties

Compound Name19-ethyl-15-methyltetratriacontane
PubChem CID123150994
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name19-ethyl-15-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCC(CC)CCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-34-37(7-3)35-31-33-36(4)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3
InChIKeyXJSPECAFZNXLRE-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 19-ethyl-15-methyltetratriacontane 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

15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
5-ethyl-8-methyltetradecane
CID 158454229
13-ethyl-3,8-dimethyloctadecane
CID 123214629
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
13-methyl-24-tetradecyltritetracontane
CID 173071329
6,10-dimethyloctadecane
CID 86144179
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046

Frequently Asked Questions

What is the IUPAC name of 19-ethyl-15-methyltetratriacontane?
The IUPAC name of 19-ethyl-15-methyltetratriacontane (CID 123150994) is 19-ethyl-15-methyltetratriacontane.
What is the SMILES notation for 19-ethyl-15-methyltetratriacontane?
The canonical SMILES for 19-ethyl-15-methyltetratriacontane is CCCCCCCCCCCCCCCC(CC)CCCC(C)CCCCCCCCCCCCCC.
What is the InChIKey of 19-ethyl-15-methyltetratriacontane?
The InChIKey is XJSPECAFZNXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-34-37(7-3)35-31-33-36(4)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3.
What are the key properties of 19-ethyl-15-methyltetratriacontane?
19-ethyl-15-methyltetratriacontane has a molecular weight of 521.02 g/mol, XLogP of 14.39, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethyl-15-methyltetratriacontane is sourced from PubChem (CID 123150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).