2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one

C10H25O5+ — CID 159261197

IUPAC2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
SMILESCC(C)=O.COC(C)(C)OC.OCCO.[H+]
InChIInChI=1S/C5H12O2.C3H6O.C2H6O2/c1-5(2,6-3)7-4;1-3(2)4;3-1-2-4/h1-4H3;1-2H3;3-4H,1-2H2/p+1
InChIKeyKWNKJLOBLQYMLQ-UHFFFAOYSA-O
MW225.30 g/mol
LogP0.69
Rot. Bonds3

About 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one

2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one (PubChem CID 159261197) has the molecular formula C10H25O5+ and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one.

Molecular Properties

Compound Name2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
PubChem CID159261197
Molecular FormulaC10H25O5+
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
SMILESCC(C)=O.COC(C)(C)OC.OCCO.[H+]
InChIInChI=1S/C5H12O2.C3H6O.C2H6O2/c1-5(2,6-3)7-4;1-3(2)4;3-1-2-4/h1-4H3;1-2H3;3-4H,1-2H2/p+1
InChIKeyKWNKJLOBLQYMLQ-UHFFFAOYSA-O
XLogP0.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
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CID 88855953
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
2,2-dimethoxypropane;methane
CID 162063722
2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
CID 160972602
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CID 146356038
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
ethane-1,2-diol;propan-2-ol;propan-2-one
CID 129307519
3-methoxy-3-methylhexan-2-one
CID 83225432
benzene;2,2-dimethoxypropane
CID 174975680
1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
diiminoazanium;ethane-1,2-diol;methyl acetate
CID 138557087

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one?
The IUPAC name of 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one (CID 159261197) is 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one.
What is the SMILES notation for 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one?
The canonical SMILES for 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one is CC(C)=O.COC(C)(C)OC.OCCO.[H+].
What is the InChIKey of 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one?
The InChIKey is KWNKJLOBLQYMLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12O2.C3H6O.C2H6O2/c1-5(2,6-3)7-4;1-3(2)4;3-1-2-4/h1-4H3;1-2H3;3-4H,1-2H2/p+1.
What are the key properties of 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one?
2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one is sourced from PubChem (CID 159261197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).