spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol

C10H14O4 — CID 130146735

IUPACspiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol
SMILESOCC1CC2OC1C=CC21OCCO1
InChIInChI=1S/C10H14O4/c11-6-7-5-9-10(12-3-4-13-10)2-1-8(7)14-9/h1-2,7-9,11H,3-6H2
InChIKeyDTHYFQITPKKXQF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.07
Rot. Bonds1

About spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol

spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol (PubChem CID 130146735) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol
PubChem CID130146735
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namespiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol
SMILESOCC1CC2OC1C=CC21OCCO1
InChIInChI=1S/C10H14O4/c11-6-7-5-9-10(12-3-4-13-10)2-1-8(7)14-9/h1-2,7-9,11H,3-6H2
InChIKeyDTHYFQITPKKXQF-UHFFFAOYSA-N
XLogP0.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol?
The IUPAC name of spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol (CID 130146735) is spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol.
What is the SMILES notation for spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol?
The canonical SMILES for spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol is OCC1CC2OC1C=CC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol?
The InChIKey is DTHYFQITPKKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-6-7-5-9-10(12-3-4-13-10)2-1-8(7)14-9/h1-2,7-9,11H,3-6H2.
What are the key properties of spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol?
spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol has a molecular weight of 198.22 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-ylmethanol is sourced from PubChem (CID 130146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).