methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate

C12H20O3 — CID 116875048

IUPACmethyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2(C(C)(C)C)COC2)CC1
InChIInChI=1S/C12H20O3/c1-10(2,3)12(7-15-8-12)11(5-6-11)9(13)14-4/h5-8H2,1-4H3
InChIKeyHPZBAIHKUSMLDR-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds2

About methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate

methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate (PubChem CID 116875048) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
PubChem CID116875048
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2(C(C)(C)C)COC2)CC1
InChIInChI=1S/C12H20O3/c1-10(2,3)12(7-15-8-12)11(5-6-11)9(13)14-4/h5-8H2,1-4H3
InChIKeyHPZBAIHKUSMLDR-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 1-[3-(3,4-dimethylphenyl)oxetan-3-yl]cyclopropane-1-carboxylate
CID 116875049
methyl (1S,3S,4R)-3-amino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 97036353
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclopropane-1-carboxylate
CID 116875059
methyl (1R,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 6543385
methyl 6-tert-butyl-2-chloro-1-oxaspiro[2.5]octane-2-carboxylate
CID 103354911
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate (CID 116875048) is methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate is COC(=O)C1(C2(C(C)(C)C)COC2)CC1.
What is the InChIKey of methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate?
The InChIKey is HPZBAIHKUSMLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2,3)12(7-15-8-12)11(5-6-11)9(13)14-4/h5-8H2,1-4H3.
What are the key properties of methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate?
methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116875048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).