15-ethyltetratriacontane

C36H74 — CID 23358557

IUPAC15-ethyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C36H74/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-36(6-3)34-32-30-28-26-24-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3
InChIKeyVSOGTJDUDTTZBE-UHFFFAOYSA-N
MW506.99 g/mol
LogP14.15
Rot. Bonds32

About 15-ethyltetratriacontane

15-ethyltetratriacontane (PubChem CID 23358557) has the molecular formula C36H74 and a molecular weight of 506.99 g/mol. Its IUPAC name is 15-ethyltetratriacontane.

Molecular Properties

Compound Name15-ethyltetratriacontane
PubChem CID23358557
Molecular FormulaC36H74
Molecular Weight506.99 g/mol
Exact Mass506.58
IUPAC Name15-ethyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C36H74/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-36(6-3)34-32-30-28-26-24-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3
InChIKeyVSOGTJDUDTTZBE-UHFFFAOYSA-N
XLogP14.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 514.15
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

12-ethylhentriacontane
CID 91805956
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
8-(3-ethylhexyl)hexadecane
CID 123944120
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of 15-ethyltetratriacontane?
The IUPAC name of 15-ethyltetratriacontane (CID 23358557) is 15-ethyltetratriacontane.
What is the SMILES notation for 15-ethyltetratriacontane?
The canonical SMILES for 15-ethyltetratriacontane is CCCCCCCCCCCCCCCCCCCC(CC)CCCCCCCCCCCCCC.
What is the InChIKey of 15-ethyltetratriacontane?
The InChIKey is VSOGTJDUDTTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-36(6-3)34-32-30-28-26-24-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3.
What are the key properties of 15-ethyltetratriacontane?
15-ethyltetratriacontane has a molecular weight of 506.99 g/mol, XLogP of 14.15, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyltetratriacontane is sourced from PubChem (CID 23358557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).