2-methoxy-2-methylcyclopropan-1-one

C5H8O2 — CID 57185083

IUPAC2-methoxy-2-methylcyclopropan-1-one
SMILESCOC1(C)CC1=O
InChIInChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h3H2,1-2H3
InChIKeyAPBMKSPUSLUOMM-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds1

About 2-methoxy-2-methylcyclopropan-1-one

2-methoxy-2-methylcyclopropan-1-one (PubChem CID 57185083) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methoxy-2-methylcyclopropan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methylcyclopropan-1-one
PubChem CID57185083
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-methoxy-2-methylcyclopropan-1-one
SMILESCOC1(C)CC1=O
InChIInChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h3H2,1-2H3
InChIKeyAPBMKSPUSLUOMM-UHFFFAOYSA-N
XLogP0.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2,5,5-tetramethylcyclohexane-1,4-dione
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3-methoxy-3-methylazepan-2-one
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1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
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trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
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5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine
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2,2-dimethoxycyclopent-3-en-1-one
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5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
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trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
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2-ethyl-2-methylcyclopentane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylcyclopropan-1-one?
The IUPAC name of 2-methoxy-2-methylcyclopropan-1-one (CID 57185083) is 2-methoxy-2-methylcyclopropan-1-one.
What is the SMILES notation for 2-methoxy-2-methylcyclopropan-1-one?
The canonical SMILES for 2-methoxy-2-methylcyclopropan-1-one is COC1(C)CC1=O.
What is the InChIKey of 2-methoxy-2-methylcyclopropan-1-one?
The InChIKey is APBMKSPUSLUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h3H2,1-2H3.
What are the key properties of 2-methoxy-2-methylcyclopropan-1-one?
2-methoxy-2-methylcyclopropan-1-one has a molecular weight of 100.12 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylcyclopropan-1-one is sourced from PubChem (CID 57185083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).