8-(3-ethylhexyl)hexadecane

C24H50 — CID 123944120

IUPAC8-(3-ethylhexyl)hexadecane
SMILESCCCCCCCCC(CCCCCCC)CCC(CC)CCC
InChIInChI=1S/C24H50/c1-5-9-11-13-15-17-20-24(19-16-14-12-10-6-2)22-21-23(8-4)18-7-3/h23-24H,5-22H2,1-4H3
InChIKeyATCFAPKRZYKEHY-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds19

About 8-(3-ethylhexyl)hexadecane

8-(3-ethylhexyl)hexadecane (PubChem CID 123944120) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 8-(3-ethylhexyl)hexadecane.

Molecular Properties

Compound Name8-(3-ethylhexyl)hexadecane
PubChem CID123944120
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name8-(3-ethylhexyl)hexadecane
SMILESCCCCCCCCC(CCCCCCC)CCC(CC)CCC
InChIInChI=1S/C24H50/c1-5-9-11-13-15-17-20-24(19-16-14-12-10-6-2)22-21-23(8-4)18-7-3/h23-24H,5-22H2,1-4H3
InChIKeyATCFAPKRZYKEHY-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.32
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-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
6-propyltetracosane
CID 91039357
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
15-propylpentatriacontane
CID 91540514

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylhexyl)hexadecane?
The IUPAC name of 8-(3-ethylhexyl)hexadecane (CID 123944120) is 8-(3-ethylhexyl)hexadecane.
What is the SMILES notation for 8-(3-ethylhexyl)hexadecane?
The canonical SMILES for 8-(3-ethylhexyl)hexadecane is CCCCCCCCC(CCCCCCC)CCC(CC)CCC.
What is the InChIKey of 8-(3-ethylhexyl)hexadecane?
The InChIKey is ATCFAPKRZYKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-5-9-11-13-15-17-20-24(19-16-14-12-10-6-2)22-21-23(8-4)18-7-3/h23-24H,5-22H2,1-4H3.
What are the key properties of 8-(3-ethylhexyl)hexadecane?
8-(3-ethylhexyl)hexadecane has a molecular weight of 338.66 g/mol, XLogP of 9.32, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylhexyl)hexadecane is sourced from PubChem (CID 123944120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).