spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol

C11H18O3 — CID 131173016

IUPACspiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
SMILESOCC1CCC2(CCC3CCC2O3)O1
InChIInChI=1S/C11H18O3/c12-7-9-4-6-11(14-9)5-3-8-1-2-10(11)13-8/h8-10,12H,1-7H2
InChIKeyIOXANOCJIBSZNY-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.24
Rot. Bonds1

About spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol

spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol (PubChem CID 131173016) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol.

Molecular Properties

Compound Namespiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
PubChem CID131173016
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namespiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
SMILESOCC1CCC2(CCC3CCC2O3)O1
InChIInChI=1S/C11H18O3/c12-7-9-4-6-11(14-9)5-3-8-1-2-10(11)13-8/h8-10,12H,1-7H2
InChIKeyIOXANOCJIBSZNY-UHFFFAOYSA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol?
The IUPAC name of spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol (CID 131173016) is spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol.
What is the SMILES notation for spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol?
The canonical SMILES for spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol is OCC1CCC2(CCC3CCC2O3)O1.
What is the InChIKey of spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol?
The InChIKey is IOXANOCJIBSZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-7-9-4-6-11(14-9)5-3-8-1-2-10(11)13-8/h8-10,12H,1-7H2.
What are the key properties of spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol?
spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol has a molecular weight of 198.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol is sourced from PubChem (CID 131173016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).