[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate

C10H14O5 — CID 22467064

IUPAC[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate
SMILESCC(=O)OCC1CC(=O)C1COC(C)=O
InChIInChI=1S/C10H14O5/c1-6(11)14-4-8-3-10(13)9(8)5-15-7(2)12/h8-9H,3-5H2,1-2H3
InChIKeyHNVYWJYHPFLNBT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.32
Rot. Bonds4

About [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate

[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate (PubChem CID 22467064) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate
PubChem CID22467064
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate
SMILESCC(=O)OCC1CC(=O)C1COC(C)=O
InChIInChI=1S/C10H14O5/c1-6(11)14-4-8-3-10(13)9(8)5-15-7(2)12/h8-9H,3-5H2,1-2H3
InChIKeyHNVYWJYHPFLNBT-UHFFFAOYSA-N
XLogP0.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,2R)-2-(hydroxymethyl)-4-oxocyclopentyl]methyl acetate
CID 11412792
[(1S,2S,4S)-6-oxo-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 67885029
[(1S,2R,4R)-6-oxo-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 98078289
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
[2-[(1-amino-3-oxobutyl)sulfanylmethyl]-3-oxocyclopentyl]methyl acetate
CID 23301447
(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)methyl acetate
CID 74025048
[(3aR,4R,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 23239991
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
(2-methylidene-3-oxocyclobutyl)methyl acetate
CID 22467018
[(1S,2S,4S)-7-oxo-2-bicyclo[2.2.1]hept-5-enyl]methyl acetate
CID 121215891
cyclopropylmethyl acetate
CID 538333
[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
CID 10986511

Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate?
The IUPAC name of [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate (CID 22467064) is [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate?
The canonical SMILES for [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate is CC(=O)OCC1CC(=O)C1COC(C)=O.
What is the InChIKey of [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate?
The InChIKey is HNVYWJYHPFLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)14-4-8-3-10(13)9(8)5-15-7(2)12/h8-9H,3-5H2,1-2H3.
What are the key properties of [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate?
[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate is sourced from PubChem (CID 22467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).