18-ethyl-15-methyltetratriacontane

C37H76 — CID 123619510

IUPAC18-ethyl-15-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCCC(CC)CCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-21-23-25-27-29-31-33-37(7-3)35-34-36(4)32-30-28-26-24-22-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3
InChIKeyWTITXLJJVRNYIC-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.39
Rot. Bonds32

About 18-ethyl-15-methyltetratriacontane

18-ethyl-15-methyltetratriacontane (PubChem CID 123619510) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 18-ethyl-15-methyltetratriacontane.

Molecular Properties

Compound Name18-ethyl-15-methyltetratriacontane
PubChem CID123619510
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name18-ethyl-15-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCCC(CC)CCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-21-23-25-27-29-31-33-37(7-3)35-34-36(4)32-30-28-26-24-22-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3
InChIKeyWTITXLJJVRNYIC-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'}

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Related Compounds

13-ethyl-16-methyltriacontane
CID 123421227
5-ethyl-8-methyltetradecane
CID 158454229
19-ethyl-15-methyltetratriacontane
CID 123150994
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
24-docosyl-21-methylheptatetracontane
CID 173071241
13-ethyl-3,8-dimethyloctadecane
CID 123214629
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
13-methyl-24-tetradecyltritetracontane
CID 173071329
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
11,14-dimethylhexacosane
CID 86148083
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 18-ethyl-15-methyltetratriacontane?
The IUPAC name of 18-ethyl-15-methyltetratriacontane (CID 123619510) is 18-ethyl-15-methyltetratriacontane.
What is the SMILES notation for 18-ethyl-15-methyltetratriacontane?
The canonical SMILES for 18-ethyl-15-methyltetratriacontane is CCCCCCCCCCCCCCCCC(CC)CCC(C)CCCCCCCCCCCCCC.
What is the InChIKey of 18-ethyl-15-methyltetratriacontane?
The InChIKey is WTITXLJJVRNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-5-8-10-12-14-16-18-20-21-23-25-27-29-31-33-37(7-3)35-34-36(4)32-30-28-26-24-22-19-17-15-13-11-9-6-2/h36-37H,5-35H2,1-4H3.
What are the key properties of 18-ethyl-15-methyltetratriacontane?
18-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 18-ethyl-15-methyltetratriacontane is sourced from PubChem (CID 123619510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).