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

C10H16O4 — CID 116986914

IUPAC[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
SMILESOCC1(C23OCC(CO2)CO3)CCC1
InChIInChI=1S/C10H16O4/c11-7-9(2-1-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,1-7H2
InChIKeyDQYWFJGFWGWAJM-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.50
Rot. Bonds2

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

[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol (PubChem CID 116986914) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
PubChem CID116986914
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol
SMILESOCC1(C23OCC(CO2)CO3)CCC1
InChIInChI=1S/C10H16O4/c11-7-9(2-1-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,1-7H2
InChIKeyDQYWFJGFWGWAJM-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-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The IUPAC name of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol (CID 116986914) is [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol is OCC1(C23OCC(CO2)CO3)CCC1.
What is the InChIKey of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
The InChIKey is DQYWFJGFWGWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-7-9(2-1-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,1-7H2.
What are the key properties of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol?
[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]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-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclobutyl]methanol is sourced from PubChem (CID 116986914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).