ethane;methylcyclopropane;propane;prop-1-yne

C14H32 — CID 142297906

IUPACethane;methylcyclopropane;propane;prop-1-yne
SMILESC#CC.CC.CC.CC1CC1.CCC
InChIInChI=1S/C4H8.C3H8.C3H4.2C2H6/c1-4-2-3-4;2*1-3-2;2*1-2/h4H,2-3H2,1H3;3H2,1-2H3;1H,2H3;2*1-2H3
InChIKeyWDDALACGBGYYJL-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.52
Rot. Bonds

About ethane;methylcyclopropane;propane;prop-1-yne

ethane;methylcyclopropane;propane;prop-1-yne (PubChem CID 142297906) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is ethane;methylcyclopropane;propane;prop-1-yne.

Molecular Properties

Compound Nameethane;methylcyclopropane;propane;prop-1-yne
PubChem CID142297906
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Nameethane;methylcyclopropane;propane;prop-1-yne
SMILESC#CC.CC.CC.CC1CC1.CCC
InChIInChI=1S/C4H8.C3H8.C3H4.2C2H6/c1-4-2-3-4;2*1-3-2;2*1-2/h4H,2-3H2,1H3;3H2,1-2H3;1H,2H3;2*1-2H3
InChIKeyWDDALACGBGYYJL-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methylcyclopropane;propane;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;methylcyclopropane;propane;prop-1-yne?
The IUPAC name of ethane;methylcyclopropane;propane;prop-1-yne (CID 142297906) is ethane;methylcyclopropane;propane;prop-1-yne.
What is the SMILES notation for ethane;methylcyclopropane;propane;prop-1-yne?
The canonical SMILES for ethane;methylcyclopropane;propane;prop-1-yne is C#CC.CC.CC.CC1CC1.CCC.
What is the InChIKey of ethane;methylcyclopropane;propane;prop-1-yne?
The InChIKey is WDDALACGBGYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8.C3H4.2C2H6/c1-4-2-3-4;2*1-3-2;2*1-2/h4H,2-3H2,1H3;3H2,1-2H3;1H,2H3;2*1-2H3.
What are the key properties of ethane;methylcyclopropane;propane;prop-1-yne?
ethane;methylcyclopropane;propane;prop-1-yne has a molecular weight of 200.41 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclopropane;propane;prop-1-yne is sourced from PubChem (CID 142297906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).