methanol;1-(2-oxopropoxy)propan-2-one

C7H14O4 — CID 23064730

IUPACmethanol;1-(2-oxopropoxy)propan-2-one
SMILESCC(=O)COCC(C)=O.CO
InChIInChI=1S/C6H10O3.CH4O/c1-5(7)3-9-4-6(2)8;1-2/h3-4H2,1-2H3;2H,1H3
InChIKeyCTUWOGGDFWJFDK-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.21
Rot. Bonds4

About methanol;1-(2-oxopropoxy)propan-2-one

methanol;1-(2-oxopropoxy)propan-2-one (PubChem CID 23064730) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is methanol;1-(2-oxopropoxy)propan-2-one.

Molecular Properties

Compound Namemethanol;1-(2-oxopropoxy)propan-2-one
PubChem CID23064730
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namemethanol;1-(2-oxopropoxy)propan-2-one
SMILESCC(=O)COCC(C)=O.CO
InChIInChI=1S/C6H10O3.CH4O/c1-5(7)3-9-4-6(2)8;1-2/h3-4H2,1-2H3;2H,1H3
InChIKeyCTUWOGGDFWJFDK-UHFFFAOYSA-N
XLogP-0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;1-(2-oxopropoxy)propan-2-one?
The IUPAC name of methanol;1-(2-oxopropoxy)propan-2-one (CID 23064730) is methanol;1-(2-oxopropoxy)propan-2-one.
What is the SMILES notation for methanol;1-(2-oxopropoxy)propan-2-one?
The canonical SMILES for methanol;1-(2-oxopropoxy)propan-2-one is CC(=O)COCC(C)=O.CO.
What is the InChIKey of methanol;1-(2-oxopropoxy)propan-2-one?
The InChIKey is CTUWOGGDFWJFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.CH4O/c1-5(7)3-9-4-6(2)8;1-2/h3-4H2,1-2H3;2H,1H3.
What are the key properties of methanol;1-(2-oxopropoxy)propan-2-one?
methanol;1-(2-oxopropoxy)propan-2-one has a molecular weight of 162.19 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-(2-oxopropoxy)propan-2-one is sourced from PubChem (CID 23064730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).