ethanol;bis(propan-2-one)

C8H18O3 — CID 19010168

IUPACethanol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCO
InChIInChI=1S/2C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h2*1-2H3;3H,2H2,1H3
InChIKeyVEEBZCGKLLSLBA-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.19
Rot. Bonds

About ethanol;bis(propan-2-one)

ethanol;bis(propan-2-one) (PubChem CID 19010168) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethanol;bis(propan-2-one).

Molecular Properties

Compound Nameethanol;bis(propan-2-one)
PubChem CID19010168
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Nameethanol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCO
InChIInChI=1S/2C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h2*1-2H3;3H,2H2,1H3
InChIKeyVEEBZCGKLLSLBA-UHFFFAOYSA-N
XLogP1.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethanol;bis(propan-2-one) 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;bis(propan-2-one)?
The IUPAC name of ethanol;bis(propan-2-one) (CID 19010168) is ethanol;bis(propan-2-one).
What is the SMILES notation for ethanol;bis(propan-2-one)?
The canonical SMILES for ethanol;bis(propan-2-one) is CC(C)=O.CC(C)=O.CCO.
What is the InChIKey of ethanol;bis(propan-2-one)?
The InChIKey is VEEBZCGKLLSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h2*1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;bis(propan-2-one)?
ethanol;bis(propan-2-one) has a molecular weight of 162.23 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(propan-2-one) is sourced from PubChem (CID 19010168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).