ethylcyclopropane;5-ethyloxolan-2-one;methane

C12H24O2 — CID 158681141

IUPACethylcyclopropane;5-ethyloxolan-2-one;methane
SMILESC.CCC1CC1.CCC1CCC(=O)O1
InChIInChI=1S/C6H10O2.C5H10.CH4/c1-2-5-3-4-6(7)8-5;1-2-5-3-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4
InChIKeyIFDJRWOQORFDCA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.54
Rot. Bonds2

About ethylcyclopropane;5-ethyloxolan-2-one;methane

ethylcyclopropane;5-ethyloxolan-2-one;methane (PubChem CID 158681141) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethylcyclopropane;5-ethyloxolan-2-one;methane.

Molecular Properties

Compound Nameethylcyclopropane;5-ethyloxolan-2-one;methane
PubChem CID158681141
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethylcyclopropane;5-ethyloxolan-2-one;methane
SMILESC.CCC1CC1.CCC1CCC(=O)O1
InChIInChI=1S/C6H10O2.C5H10.CH4/c1-2-5-3-4-6(7)8-5;1-2-5-3-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4
InChIKeyIFDJRWOQORFDCA-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethylcyclopropane;5-ethyloxolan-2-one;methane 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 ethylcyclopropane;5-ethyloxolan-2-one;methane?
The IUPAC name of ethylcyclopropane;5-ethyloxolan-2-one;methane (CID 158681141) is ethylcyclopropane;5-ethyloxolan-2-one;methane.
What is the SMILES notation for ethylcyclopropane;5-ethyloxolan-2-one;methane?
The canonical SMILES for ethylcyclopropane;5-ethyloxolan-2-one;methane is C.CCC1CC1.CCC1CCC(=O)O1.
What is the InChIKey of ethylcyclopropane;5-ethyloxolan-2-one;methane?
The InChIKey is IFDJRWOQORFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H10.CH4/c1-2-5-3-4-6(7)8-5;1-2-5-3-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4.
What are the key properties of ethylcyclopropane;5-ethyloxolan-2-one;methane?
ethylcyclopropane;5-ethyloxolan-2-one;methane has a molecular weight of 200.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;5-ethyloxolan-2-one;methane is sourced from PubChem (CID 158681141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).