ethane;methane;prop-1-yne

C18H50 — CID 143333959

IUPACethane;methane;prop-1-yne
SMILESC.C#CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C3H4.7C2H6.CH4/c1-3-2;7*1-2;/h1H,2H3;7*1-2H3;1H4
InChIKeyILZKIIYSVBIPPA-UHFFFAOYSA-N
MW266.60 g/mol
LogP8.46
Rot. Bonds

About ethane;methane;prop-1-yne

ethane;methane;prop-1-yne (PubChem CID 143333959) has the molecular formula C18H50 and a molecular weight of 266.60 g/mol. Its IUPAC name is ethane;methane;prop-1-yne.

Molecular Properties

Compound Nameethane;methane;prop-1-yne
PubChem CID143333959
Molecular FormulaC18H50
Molecular Weight266.60 g/mol
Exact Mass266.39
IUPAC Nameethane;methane;prop-1-yne
SMILESC.C#CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C3H4.7C2H6.CH4/c1-3-2;7*1-2;/h1H,2H3;7*1-2H3;1H4
InChIKeyILZKIIYSVBIPPA-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.60
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methane;prop-1-yne with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methane;prop-1-yne?
The IUPAC name of ethane;methane;prop-1-yne (CID 143333959) is ethane;methane;prop-1-yne.
What is the SMILES notation for ethane;methane;prop-1-yne?
The canonical SMILES for ethane;methane;prop-1-yne is C.C#CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;methane;prop-1-yne?
The InChIKey is ILZKIIYSVBIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.7C2H6.CH4/c1-3-2;7*1-2;/h1H,2H3;7*1-2H3;1H4.
What are the key properties of ethane;methane;prop-1-yne?
ethane;methane;prop-1-yne has a molecular weight of 266.60 g/mol, XLogP of 8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;prop-1-yne is sourced from PubChem (CID 143333959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).