methane;methyl 3-methyloxetane-3-carboxylate

C7H14O3 — CID 167597787

IUPACmethane;methyl 3-methyloxetane-3-carboxylate
SMILESC.COC(=O)C1(C)COC1
InChIInChI=1S/C6H10O3.CH4/c1-6(3-9-4-6)5(7)8-2;/h3-4H2,1-2H3;1H4
InChIKeyJHWMSKNPWIBKJH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.83
Rot. Bonds1

About methane;methyl 3-methyloxetane-3-carboxylate

methane;methyl 3-methyloxetane-3-carboxylate (PubChem CID 167597787) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methane;methyl 3-methyloxetane-3-carboxylate.

Molecular Properties

Compound Namemethane;methyl 3-methyloxetane-3-carboxylate
PubChem CID167597787
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethane;methyl 3-methyloxetane-3-carboxylate
SMILESC.COC(=O)C1(C)COC1
InChIInChI=1S/C6H10O3.CH4/c1-6(3-9-4-6)5(7)8-2;/h3-4H2,1-2H3;1H4
InChIKeyJHWMSKNPWIBKJH-UHFFFAOYSA-N
XLogP0.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
CID 162342184
1-(2-acetylphenyl)propan-1-one;methyl 3-methyloxetane-3-carboxylate
CID 176957761
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 4-methyl-1,3-oxazolidine-4-carboxylate
CID 45086646
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2-(2-methoxycarbonylprop-2-enoxymethyl)prop-2-enoate
CID 158035076
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
CID 142801570
2-methyl-1-(3-methyloxetan-3-yl)propan-1-one
CID 67476798
(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
CID 165455383

Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-methyloxetane-3-carboxylate?
The IUPAC name of methane;methyl 3-methyloxetane-3-carboxylate (CID 167597787) is methane;methyl 3-methyloxetane-3-carboxylate.
What is the SMILES notation for methane;methyl 3-methyloxetane-3-carboxylate?
The canonical SMILES for methane;methyl 3-methyloxetane-3-carboxylate is C.COC(=O)C1(C)COC1.
What is the InChIKey of methane;methyl 3-methyloxetane-3-carboxylate?
The InChIKey is JHWMSKNPWIBKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.CH4/c1-6(3-9-4-6)5(7)8-2;/h3-4H2,1-2H3;1H4.
What are the key properties of methane;methyl 3-methyloxetane-3-carboxylate?
methane;methyl 3-methyloxetane-3-carboxylate has a molecular weight of 146.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-methyloxetane-3-carboxylate is sourced from PubChem (CID 167597787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).