propan-2-ol;bis(propan-2-one)

C9H20O3 — CID 19101461

IUPACpropan-2-ol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)O
InChIInChI=1S/C3H8O.2C3H6O/c3*1-3(2)4/h3-4H,1-2H3;2*1-2H3
InChIKeyLUUJSGOVJSIWFL-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.58
Rot. Bonds

About propan-2-ol;bis(propan-2-one)

propan-2-ol;bis(propan-2-one) (PubChem CID 19101461) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is propan-2-ol;bis(propan-2-one).

Molecular Properties

Compound Namepropan-2-ol;bis(propan-2-one)
PubChem CID19101461
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Namepropan-2-ol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)O
InChIInChI=1S/C3H8O.2C3H6O/c3*1-3(2)4/h3-4H,1-2H3;2*1-2H3
InChIKeyLUUJSGOVJSIWFL-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;bis(propan-2-one)?
The IUPAC name of propan-2-ol;bis(propan-2-one) (CID 19101461) is propan-2-ol;bis(propan-2-one).
What is the SMILES notation for propan-2-ol;bis(propan-2-one)?
The canonical SMILES for propan-2-ol;bis(propan-2-one) is CC(C)=O.CC(C)=O.CC(C)O.
What is the InChIKey of propan-2-ol;bis(propan-2-one)?
The InChIKey is LUUJSGOVJSIWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.2C3H6O/c3*1-3(2)4/h3-4H,1-2H3;2*1-2H3.
What are the key properties of propan-2-ol;bis(propan-2-one)?
propan-2-ol;bis(propan-2-one) has a molecular weight of 176.26 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;bis(propan-2-one) is sourced from PubChem (CID 19101461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).