3-ethylicosane

C22H46 — CID 528487

IUPAC3-ethylicosane
SMILESCCCCCCCCCCCCCCCCCC(CC)CC
InChIInChI=1S/C22H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(5-2)6-3/h22H,4-21H2,1-3H3
InChIKeyPEOLXVKASMQSMY-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.68
Rot. Bonds18

About 3-ethylicosane

3-ethylicosane (PubChem CID 528487) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 3-ethylicosane.

Molecular Properties

Compound Name3-ethylicosane
PubChem CID528487
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name3-ethylicosane
SMILESCCCCCCCCCCCCCCCCCC(CC)CC
InChIInChI=1S/C22H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(5-2)6-3/h22H,4-21H2,1-3H3
InChIKeyPEOLXVKASMQSMY-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.68
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

3-ethylpentacosane
CID 22224239
ethane;3-ethylundecane
CID 144815521
3-ethyloctane;propane
CID 143682929
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethyldodecane;bis(N-ethylethanamine)
CID 160952353

Frequently Asked Questions

What is the IUPAC name of 3-ethylicosane?
The IUPAC name of 3-ethylicosane (CID 528487) is 3-ethylicosane.
What is the SMILES notation for 3-ethylicosane?
The canonical SMILES for 3-ethylicosane is CCCCCCCCCCCCCCCCCC(CC)CC.
What is the InChIKey of 3-ethylicosane?
The InChIKey is PEOLXVKASMQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(5-2)6-3/h22H,4-21H2,1-3H3.
What are the key properties of 3-ethylicosane?
3-ethylicosane has a molecular weight of 310.61 g/mol, XLogP of 8.68, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylicosane is sourced from PubChem (CID 528487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).