ethane;3-ethylundecane

C19H46 — CID 144815521

IUPACethane;3-ethylundecane
SMILESCC.CC.CC.CCCCCCCCC(CC)CC
InChIInChI=1S/C13H28.3C2H6/c1-4-7-8-9-10-11-12-13(5-2)6-3;3*1-2/h13H,4-12H2,1-3H3;3*1-2H3
InChIKeyQVEXBDOKPBZCGK-UHFFFAOYSA-N
MW274.58 g/mol
LogP8.25
Rot. Bonds9

About ethane;3-ethylundecane

ethane;3-ethylundecane (PubChem CID 144815521) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is ethane;3-ethylundecane.

Molecular Properties

Compound Nameethane;3-ethylundecane
PubChem CID144815521
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Nameethane;3-ethylundecane
SMILESCC.CC.CC.CCCCCCCCC(CC)CC
InChIInChI=1S/C13H28.3C2H6/c1-4-7-8-9-10-11-12-13(5-2)6-3;3*1-2/h13H,4-12H2,1-3H3;3*1-2H3
InChIKeyQVEXBDOKPBZCGK-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 58.25
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
3-ethylicosane
CID 528487
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 ethane;3-ethylundecane?
The IUPAC name of ethane;3-ethylundecane (CID 144815521) is ethane;3-ethylundecane.
What is the SMILES notation for ethane;3-ethylundecane?
The canonical SMILES for ethane;3-ethylundecane is CC.CC.CC.CCCCCCCCC(CC)CC.
What is the InChIKey of ethane;3-ethylundecane?
The InChIKey is QVEXBDOKPBZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.3C2H6/c1-4-7-8-9-10-11-12-13(5-2)6-3;3*1-2/h13H,4-12H2,1-3H3;3*1-2H3.
What are the key properties of ethane;3-ethylundecane?
ethane;3-ethylundecane has a molecular weight of 274.58 g/mol, XLogP of 8.25, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylundecane is sourced from PubChem (CID 144815521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).