[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol

C11H18O4 — CID 116987047

IUPAC[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
SMILESCC12COC(C3(CO)CCC3)(OC1)OC2
InChIInChI=1S/C11H18O4/c1-9-6-13-11(14-7-9,15-8-9)10(5-12)3-2-4-10/h12H,2-8H2,1H3
InChIKeyCIZDQLNURBUCDI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.89
Rot. Bonds2

About [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol

[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol (PubChem CID 116987047) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
PubChem CID116987047
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
SMILESCC12COC(C3(CO)CCC3)(OC1)OC2
InChIInChI=1S/C11H18O4/c1-9-6-13-11(14-7-9,15-8-9)10(5-12)3-2-4-10/h12H,2-8H2,1H3
InChIKeyCIZDQLNURBUCDI-UHFFFAOYSA-N
XLogP0.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The IUPAC name of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol (CID 116987047) is [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol is CC12COC(C3(CO)CCC3)(OC1)OC2.
What is the InChIKey of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The InChIKey is CIZDQLNURBUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9-6-13-11(14-7-9,15-8-9)10(5-12)3-2-4-10/h12H,2-8H2,1H3.
What are the key properties of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol has a molecular weight of 214.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol is sourced from PubChem (CID 116987047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).