4-ethylhexadecane

C18H38 — CID 528433

IUPAC4-ethylhexadecane
SMILESCCCCCCCCCCCCC(CC)CCC
InChIInChI=1S/C18H38/c1-4-7-8-9-10-11-12-13-14-15-17-18(6-3)16-5-2/h18H,4-17H2,1-3H3
InChIKeyCAJDQYQXSQLIEL-UHFFFAOYSA-N
MW254.50 g/mol
LogP7.12
Rot. Bonds14

About 4-ethylhexadecane

4-ethylhexadecane (PubChem CID 528433) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 4-ethylhexadecane.

Molecular Properties

Compound Name4-ethylhexadecane
PubChem CID528433
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name4-ethylhexadecane
SMILESCCCCCCCCCCCCC(CC)CCC
InChIInChI=1S/C18H38/c1-4-7-8-9-10-11-12-13-14-15-17-18(6-3)16-5-2/h18H,4-17H2,1-3H3
InChIKeyCAJDQYQXSQLIEL-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.12
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-ethylnonadecane
CID 22223766
8-(3-ethylhexyl)hexadecane
CID 123944120
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
6-propyltetracosane
CID 91039357
3-ethylicosane
CID 528487
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
16-propylhexatriacontane
CID 91313942

Frequently Asked Questions

What is the IUPAC name of 4-ethylhexadecane?
The IUPAC name of 4-ethylhexadecane (CID 528433) is 4-ethylhexadecane.
What is the SMILES notation for 4-ethylhexadecane?
The canonical SMILES for 4-ethylhexadecane is CCCCCCCCCCCCC(CC)CCC.
What is the InChIKey of 4-ethylhexadecane?
The InChIKey is CAJDQYQXSQLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-4-7-8-9-10-11-12-13-14-15-17-18(6-3)16-5-2/h18H,4-17H2,1-3H3.
What are the key properties of 4-ethylhexadecane?
4-ethylhexadecane has a molecular weight of 254.50 g/mol, XLogP of 7.12, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhexadecane is sourced from PubChem (CID 528433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).