3-ethylpentacosane

C27H56 — CID 22224239

IUPAC3-ethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CC)CC
InChIInChI=1S/C27H56/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(5-2)6-3/h27H,4-26H2,1-3H3
InChIKeyMRBKDULKCYKVPC-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.63
Rot. Bonds23

About 3-ethylpentacosane

3-ethylpentacosane (PubChem CID 22224239) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-ethylpentacosane.

Molecular Properties

Compound Name3-ethylpentacosane
PubChem CID22224239
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name3-ethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CC)CC
InChIInChI=1S/C27H56/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(5-2)6-3/h27H,4-26H2,1-3H3
InChIKeyMRBKDULKCYKVPC-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.63
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-ethylicosane
CID 528487
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-ethylpentacosane?
The IUPAC name of 3-ethylpentacosane (CID 22224239) is 3-ethylpentacosane.
What is the SMILES notation for 3-ethylpentacosane?
The canonical SMILES for 3-ethylpentacosane is CCCCCCCCCCCCCCCCCCCCCCC(CC)CC.
What is the InChIKey of 3-ethylpentacosane?
The InChIKey is MRBKDULKCYKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(5-2)6-3/h27H,4-26H2,1-3H3.
What are the key properties of 3-ethylpentacosane?
3-ethylpentacosane has a molecular weight of 380.75 g/mol, XLogP of 10.63, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentacosane is sourced from PubChem (CID 22224239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).