methyl 3-cyclobutyloxetane-3-carboxylate

C9H14O3 — CID 116873575

IUPACmethyl 3-cyclobutyloxetane-3-carboxylate
SMILESCOC(=O)C1(C2CCC2)COC1
InChIInChI=1S/C9H14O3/c1-11-8(10)9(5-12-6-9)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyVKSAKIOLQPTPQX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.98
Rot. Bonds2

About methyl 3-cyclobutyloxetane-3-carboxylate

methyl 3-cyclobutyloxetane-3-carboxylate (PubChem CID 116873575) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 3-cyclobutyloxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyloxetane-3-carboxylate
PubChem CID116873575
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 3-cyclobutyloxetane-3-carboxylate
SMILESCOC(=O)C1(C2CCC2)COC1
InChIInChI=1S/C9H14O3/c1-11-8(10)9(5-12-6-9)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyVKSAKIOLQPTPQX-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-oxocyclohexyl)oxetane-3-carboxylate
CID 133054096
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
methyl 2-cyclopentyloxirane-2-carboxylate
CID 91618657
methyl 3-cyclohexyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 87200807
methyl 3-cyclohexyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 88822916
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
CID 115248651
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 3-cyclohexylsulfonyloxetane-3-carboxylate
CID 117037599
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
CID 116875048

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyloxetane-3-carboxylate?
The IUPAC name of methyl 3-cyclobutyloxetane-3-carboxylate (CID 116873575) is methyl 3-cyclobutyloxetane-3-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyloxetane-3-carboxylate?
The canonical SMILES for methyl 3-cyclobutyloxetane-3-carboxylate is COC(=O)C1(C2CCC2)COC1.
What is the InChIKey of methyl 3-cyclobutyloxetane-3-carboxylate?
The InChIKey is VKSAKIOLQPTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8(10)9(5-12-6-9)7-3-2-4-7/h7H,2-6H2,1H3.
What are the key properties of methyl 3-cyclobutyloxetane-3-carboxylate?
methyl 3-cyclobutyloxetane-3-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyloxetane-3-carboxylate is sourced from PubChem (CID 116873575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).