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

C10H16O4 — CID 59792382

IUPAC(1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol
SMILESOCC12COC(C3CCC3)(OC1)OC2
InChIInChI=1S/C10H16O4/c11-4-9-5-12-10(13-6-9,14-7-9)8-2-1-3-8/h8,11H,1-7H2
InChIKeyUSJVWAGYMFDQOA-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.50
Rot. Bonds2

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

(1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol (PubChem CID 59792382) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol.

Molecular Properties

Compound Name(1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol
PubChem CID59792382
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol
SMILESOCC12COC(C3CCC3)(OC1)OC2
InChIInChI=1S/C10H16O4/c11-4-9-5-12-10(13-6-9,14-7-9)8-2-1-3-8/h8,11H,1-7H2
InChIKeyUSJVWAGYMFDQOA-UHFFFAOYSA-N
XLogP0.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol?
The IUPAC name of (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol (CID 59792382) is (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol.
What is the SMILES notation for (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol?
The canonical SMILES for (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol is OCC12COC(C3CCC3)(OC1)OC2.
What is the InChIKey of (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol?
The InChIKey is USJVWAGYMFDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-4-9-5-12-10(13-6-9,14-7-9)8-2-1-3-8/h8,11H,1-7H2.
What are the key properties of (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol?
(1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol has a molecular weight of 200.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol is sourced from PubChem (CID 59792382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).