methanol;propan-2-one;dihydrate

C4H14O4 — CID 158013024

IUPACmethanol;propan-2-one;dihydrate
SMILESCC(C)=O.CO.O.O
InChIInChI=1S/C3H6O.CH4O.2H2O/c1-3(2)4;1-2;;/h1-2H3;2H,1H3;2*1H2
InChIKeyFFCZFNYMEAGECS-UHFFFAOYSA-N
MW126.15 g/mol
LogP-1.45
Rot. Bonds

About methanol;propan-2-one;dihydrate

methanol;propan-2-one;dihydrate (PubChem CID 158013024) has the molecular formula C4H14O4 and a molecular weight of 126.15 g/mol. Its IUPAC name is methanol;propan-2-one;dihydrate.

Molecular Properties

Compound Namemethanol;propan-2-one;dihydrate
PubChem CID158013024
Molecular FormulaC4H14O4
Molecular Weight126.15 g/mol
Exact Mass126.09
IUPAC Namemethanol;propan-2-one;dihydrate
SMILESCC(C)=O.CO.O.O
InChIInChI=1S/C3H6O.CH4O.2H2O/c1-3(2)4;1-2;;/h1-2H3;2H,1H3;2*1H2
InChIKeyFFCZFNYMEAGECS-UHFFFAOYSA-N
XLogP-1.45
TPSA100.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methanol;propan-2-one;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanol;propan-2-one;hydrate
CID 86590524
acetic acid;gadolinium;hexahydrate
CID 174991979
hydrazine;propan-2-one;dihydrate
CID 18407837
nickel;tris(propan-2-one)
CID 175333114
argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
benzene;propan-2-one;hydrate
CID 68819625
acetic acid;methanol;propan-2-ol;propan-2-one;hydrate
CID 174718429
acetic acid;methanol
CID 173388753
acetic acid;decahydrate
CID 163997764

Frequently Asked Questions

What is the IUPAC name of methanol;propan-2-one;dihydrate?
The IUPAC name of methanol;propan-2-one;dihydrate (CID 158013024) is methanol;propan-2-one;dihydrate.
What is the SMILES notation for methanol;propan-2-one;dihydrate?
The canonical SMILES for methanol;propan-2-one;dihydrate is CC(C)=O.CO.O.O.
What is the InChIKey of methanol;propan-2-one;dihydrate?
The InChIKey is FFCZFNYMEAGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH4O.2H2O/c1-3(2)4;1-2;;/h1-2H3;2H,1H3;2*1H2.
What are the key properties of methanol;propan-2-one;dihydrate?
methanol;propan-2-one;dihydrate has a molecular weight of 126.15 g/mol, XLogP of -1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propan-2-one;dihydrate is sourced from PubChem (CID 158013024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).