1-methoxyethane-1,1-diol;propan-2-one

C6H14O4 — CID 88831633

IUPAC1-methoxyethane-1,1-diol;propan-2-one
SMILESCC(C)=O.COC(C)(O)O
InChIInChI=1S/C3H8O3.C3H6O/c1-3(4,5)6-2;1-3(2)4/h4-5H,1-2H3;1-2H3
InChIKeyVIGLXTIANJVBSW-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.11
Rot. Bonds1

About 1-methoxyethane-1,1-diol;propan-2-one

1-methoxyethane-1,1-diol;propan-2-one (PubChem CID 88831633) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 1-methoxyethane-1,1-diol;propan-2-one.

Molecular Properties

Compound Name1-methoxyethane-1,1-diol;propan-2-one
PubChem CID88831633
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name1-methoxyethane-1,1-diol;propan-2-one
SMILESCC(C)=O.COC(C)(O)O
InChIInChI=1S/C3H8O3.C3H6O/c1-3(4,5)6-2;1-3(2)4/h4-5H,1-2H3;1-2H3
InChIKeyVIGLXTIANJVBSW-UHFFFAOYSA-N
XLogP-0.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethane-1,1-diol;propan-2-one?
The IUPAC name of 1-methoxyethane-1,1-diol;propan-2-one (CID 88831633) is 1-methoxyethane-1,1-diol;propan-2-one.
What is the SMILES notation for 1-methoxyethane-1,1-diol;propan-2-one?
The canonical SMILES for 1-methoxyethane-1,1-diol;propan-2-one is CC(C)=O.COC(C)(O)O.
What is the InChIKey of 1-methoxyethane-1,1-diol;propan-2-one?
The InChIKey is VIGLXTIANJVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H6O/c1-3(4,5)6-2;1-3(2)4/h4-5H,1-2H3;1-2H3.
What are the key properties of 1-methoxyethane-1,1-diol;propan-2-one?
1-methoxyethane-1,1-diol;propan-2-one has a molecular weight of 150.17 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethane-1,1-diol;propan-2-one is sourced from PubChem (CID 88831633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).