ethanol;methane;dihydrate

C3H14O3 — CID 90657089

IUPACethanol;methane;dihydrate
SMILESC.CCO.O.O
InChIInChI=1S/C2H6O.CH4.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H4;2*1H2
InChIKeyUXZSATIKKVNCSC-UHFFFAOYSA-N
MW98.14 g/mol
LogP-1.01
Rot. Bonds

About ethanol;methane;dihydrate

ethanol;methane;dihydrate (PubChem CID 90657089) has the molecular formula C3H14O3 and a molecular weight of 98.14 g/mol. Its IUPAC name is ethanol;methane;dihydrate.

Molecular Properties

Compound Nameethanol;methane;dihydrate
PubChem CID90657089
Molecular FormulaC3H14O3
Molecular Weight98.14 g/mol
Exact Mass98.09
IUPAC Nameethanol;methane;dihydrate
SMILESC.CCO.O.O
InChIInChI=1S/C2H6O.CH4.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H4;2*1H2
InChIKeyUXZSATIKKVNCSC-UHFFFAOYSA-N
XLogP-1.01
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethanol;methane;dihydrate 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 ethanol;methane;dihydrate?
The IUPAC name of ethanol;methane;dihydrate (CID 90657089) is ethanol;methane;dihydrate.
What is the SMILES notation for ethanol;methane;dihydrate?
The canonical SMILES for ethanol;methane;dihydrate is C.CCO.O.O.
What is the InChIKey of ethanol;methane;dihydrate?
The InChIKey is UXZSATIKKVNCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH4.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H4;2*1H2.
What are the key properties of ethanol;methane;dihydrate?
ethanol;methane;dihydrate has a molecular weight of 98.14 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methane;dihydrate is sourced from PubChem (CID 90657089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).