methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate

C11H18O4 — CID 169100738

IUPACmethyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC2CCCCO2)CCC1
InChIInChI=1S/C11H18O4/c1-13-10(12)11(6-4-7-11)15-9-5-2-3-8-14-9/h9H,2-8H2,1H3
InChIKeyVKGXIMFCWYLEMP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.63
Rot. Bonds3

About methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate

methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate (PubChem CID 169100738) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
PubChem CID169100738
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC2CCCCO2)CCC1
InChIInChI=1S/C11H18O4/c1-13-10(12)11(6-4-7-11)15-9-5-2-3-8-14-9/h9H,2-8H2,1H3
InChIKeyVKGXIMFCWYLEMP-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-yl adamantane-1-carboxylate
CID 22723774
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
oxan-2-yl butanoate
CID 14932559
methyl 4-[1-(oxan-2-yloxycarbonyl)cyclohexyl]benzoate
CID 58611863
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
2-methoxyoxepane
CID 24974084

Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate (CID 169100738) is methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate is COC(=O)C1(OC2CCCCO2)CCC1.
What is the InChIKey of methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate?
The InChIKey is VKGXIMFCWYLEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-10(12)11(6-4-7-11)15-9-5-2-3-8-14-9/h9H,2-8H2,1H3.
What are the key properties of methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate?
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 169100738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).