3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one

C8H14O2 — CID 13059206

IUPAC3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one
SMILESCOCC1CC(=O)C1(C)C
InChIInChI=1S/C8H14O2/c1-8(2)6(5-10-3)4-7(8)9/h6H,4-5H2,1-3H3
InChIKeyXGMCHFWCOQBCSO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.25
Rot. Bonds2

About 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one

3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one (PubChem CID 13059206) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one
PubChem CID13059206
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one
SMILESCOCC1CC(=O)C1(C)C
InChIInChI=1S/C8H14O2/c1-8(2)6(5-10-3)4-7(8)9/h6H,4-5H2,1-3H3
InChIKeyXGMCHFWCOQBCSO-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-4,4-dimethylcyclohexan-1-one
CID 165496997
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one
CID 66368280
(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
CID 166270235
3-(3-chloro-5-methoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 15536048
3-(3,3-dimethylbutoxy)-2,2-dimethylcyclobutan-1-one
CID 66366862
2-(dimethylaminomethylidene)-5-(methoxymethyl)cyclohexane-1,3-dione
CID 146647193
[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methyl methyl carbonate
CID 159663240
1-ethyl-2-(methoxymethyl)-1,5-dimethylcyclopentane
CID 177139058
3-(4-chlorophenyl)-2,2-dimethylcyclobutan-1-one
CID 11789026

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one (CID 13059206) is 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one is COCC1CC(=O)C1(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one?
The InChIKey is XGMCHFWCOQBCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6(5-10-3)4-7(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one?
3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 13059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).