(2-methoxycyclobutyl) acetate

C7H12O3 — CID 68941344

IUPAC(2-methoxycyclobutyl) acetate
SMILESCOC1CCC1OC(C)=O
InChIInChI=1S/C7H12O3/c1-5(8)10-7-4-3-6(7)9-2/h6-7H,3-4H2,1-2H3
InChIKeyXDFYZKPNZVLIBR-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About (2-methoxycyclobutyl) acetate

(2-methoxycyclobutyl) acetate (PubChem CID 68941344) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2-methoxycyclobutyl) acetate.

Molecular Properties

Compound Name(2-methoxycyclobutyl) acetate
PubChem CID68941344
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2-methoxycyclobutyl) acetate
SMILESCOC1CCC1OC(C)=O
InChIInChI=1S/C7H12O3/c1-5(8)10-7-4-3-6(7)9-2/h6-7H,3-4H2,1-2H3
InChIKeyXDFYZKPNZVLIBR-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
CID 59733261
CID 59733261
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
[(1R,2R)-2-chlorocyclobutyl] acetate
CID 54233991
[(1S,4Z,8S)-8-acetyloxycyclooct-4-en-1-yl] acetate
CID 10867992
(2,6,9-triacetyloxy-13-oxo-13lambda4-thiabicyclo[8.2.1]tridecan-5-yl) acetate
CID 13013140
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(1R,2R,5R,6R)-6-acetyloxy-9-azabicyclo[3.3.1]nonan-2-yl] acetate;hydrochloride
CID 139016634
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
CID 167445479
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclobutyl) acetate?
The IUPAC name of (2-methoxycyclobutyl) acetate (CID 68941344) is (2-methoxycyclobutyl) acetate.
What is the SMILES notation for (2-methoxycyclobutyl) acetate?
The canonical SMILES for (2-methoxycyclobutyl) acetate is COC1CCC1OC(C)=O.
What is the InChIKey of (2-methoxycyclobutyl) acetate?
The InChIKey is XDFYZKPNZVLIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(8)10-7-4-3-6(7)9-2/h6-7H,3-4H2,1-2H3.
What are the key properties of (2-methoxycyclobutyl) acetate?
(2-methoxycyclobutyl) acetate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclobutyl) acetate is sourced from PubChem (CID 68941344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).