3-ethyloctane;propane

C13H30 — CID 143682929

IUPAC3-ethyloctane;propane
SMILESCCC.CCCCCC(CC)CC
InChIInChI=1S/C10H22.C3H8/c1-4-7-8-9-10(5-2)6-3;1-3-2/h10H,4-9H2,1-3H3;3H2,1-2H3
InChIKeyBUFPMYBVXDLTIO-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.42
Rot. Bonds6

About 3-ethyloctane;propane

3-ethyloctane;propane (PubChem CID 143682929) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 3-ethyloctane;propane.

Molecular Properties

Compound Name3-ethyloctane;propane
PubChem CID143682929
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name3-ethyloctane;propane
SMILESCCC.CCCCCC(CC)CC
InChIInChI=1S/C10H22.C3H8/c1-4-7-8-9-10(5-2)6-3;1-3-2/h10H,4-9H2,1-3H3;3H2,1-2H3
InChIKeyBUFPMYBVXDLTIO-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethyloctane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
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-ethyloctane;propane?
The IUPAC name of 3-ethyloctane;propane (CID 143682929) is 3-ethyloctane;propane.
What is the SMILES notation for 3-ethyloctane;propane?
The canonical SMILES for 3-ethyloctane;propane is CCC.CCCCCC(CC)CC.
What is the InChIKey of 3-ethyloctane;propane?
The InChIKey is BUFPMYBVXDLTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C3H8/c1-4-7-8-9-10(5-2)6-3;1-3-2/h10H,4-9H2,1-3H3;3H2,1-2H3.
What are the key properties of 3-ethyloctane;propane?
3-ethyloctane;propane has a molecular weight of 186.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctane;propane is sourced from PubChem (CID 143682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).