4-ethylnonadecane

C21H44 — CID 22223766

IUPAC4-ethylnonadecane
SMILESCCCCCCCCCCCCCCCC(CC)CCC
InChIInChI=1S/C21H44/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(6-3)19-5-2/h21H,4-20H2,1-3H3
InChIKeyLMKPWTVDPGYDOC-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.29
Rot. Bonds17

About 4-ethylnonadecane

4-ethylnonadecane (PubChem CID 22223766) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 4-ethylnonadecane.

Molecular Properties

Compound Name4-ethylnonadecane
PubChem CID22223766
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name4-ethylnonadecane
SMILESCCCCCCCCCCCCCCCC(CC)CCC
InChIInChI=1S/C21H44/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(6-3)19-5-2/h21H,4-20H2,1-3H3
InChIKeyLMKPWTVDPGYDOC-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.29
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
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-ethylnonadecane?
The IUPAC name of 4-ethylnonadecane (CID 22223766) is 4-ethylnonadecane.
What is the SMILES notation for 4-ethylnonadecane?
The canonical SMILES for 4-ethylnonadecane is CCCCCCCCCCCCCCCC(CC)CCC.
What is the InChIKey of 4-ethylnonadecane?
The InChIKey is LMKPWTVDPGYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(6-3)19-5-2/h21H,4-20H2,1-3H3.
What are the key properties of 4-ethylnonadecane?
4-ethylnonadecane has a molecular weight of 296.58 g/mol, XLogP of 8.29, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnonadecane is sourced from PubChem (CID 22223766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).