methoxyethane;1-methoxypropan-2-one

C7H16O3 — CID 159894285

IUPACmethoxyethane;1-methoxypropan-2-one
SMILESCCOC.COCC(C)=O
InChIInChI=1S/C4H8O2.C3H8O/c1-4(5)3-6-2;1-3-4-2/h3H2,1-2H3;3H2,1-2H3
InChIKeyNVDKVQBGPMQQLR-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.87
Rot. Bonds3

About methoxyethane;1-methoxypropan-2-one

methoxyethane;1-methoxypropan-2-one (PubChem CID 159894285) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is methoxyethane;1-methoxypropan-2-one.

Molecular Properties

Compound Namemethoxyethane;1-methoxypropan-2-one
PubChem CID159894285
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Namemethoxyethane;1-methoxypropan-2-one
SMILESCCOC.COCC(C)=O
InChIInChI=1S/C4H8O2.C3H8O/c1-4(5)3-6-2;1-3-4-2/h3H2,1-2H3;3H2,1-2H3
InChIKeyNVDKVQBGPMQQLR-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methoxyacetone
CID 22172
1-Isopropoxyacetone
CID 536431
3-Ethoxybutan-2-one
CID 13609260
1-Methoxybutan-2-one
CID 10080345
1-Ethoxypropan-2-one
CID 12544552
1,3-Dimethoxyacetone
CID 1501888
3-Methoxybutan-2-one
CID 12500500
1-((2-Methylpropan-2-yl)oxy)propan-2-one
CID 12778577
1-(2-Methylpropoxy)propan-2-one
CID 43798742
Ethyl ethoxymethyl ketone
CID 144750
1,3-Diethoxyacetone
CID 227346
1-(2-Oxo-propoxy)-propan-2-one
CID 4522660

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1-methoxypropan-2-one?
The IUPAC name of methoxyethane;1-methoxypropan-2-one (CID 159894285) is methoxyethane;1-methoxypropan-2-one.
What is the SMILES notation for methoxyethane;1-methoxypropan-2-one?
The canonical SMILES for methoxyethane;1-methoxypropan-2-one is CCOC.COCC(C)=O.
What is the InChIKey of methoxyethane;1-methoxypropan-2-one?
The InChIKey is NVDKVQBGPMQQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8O/c1-4(5)3-6-2;1-3-4-2/h3H2,1-2H3;3H2,1-2H3.
What are the key properties of methoxyethane;1-methoxypropan-2-one?
methoxyethane;1-methoxypropan-2-one has a molecular weight of 148.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1-methoxypropan-2-one is sourced from PubChem (CID 159894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).