(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one

C10H12O3 — CID 10856073

IUPAC(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one
SMILESO=C1C[C@@H]2C=C[C@@H](C2)C12OCCO2
InChIInChI=1S/C10H12O3/c11-9-6-7-1-2-8(5-7)10(9)12-3-4-13-10/h1-2,7-8H,3-6H2/t7-,8+/m1/s1
InChIKeyWPXHKDIOLBGDDK-SFYZADRCSA-N
MW180.20 g/mol
LogP0.89
Rot. Bonds

About (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one

(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one (PubChem CID 10856073) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one.

Molecular Properties

Compound Name(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one
PubChem CID10856073
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one
SMILESO=C1C[C@@H]2C=C[C@@H](C2)C12OCCO2
InChIInChI=1S/C10H12O3/c11-9-6-7-1-2-8(5-7)10(9)12-3-4-13-10/h1-2,7-8H,3-6H2/t7-,8+/m1/s1
InChIKeyWPXHKDIOLBGDDK-SFYZADRCSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one?
The IUPAC name of (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one (CID 10856073) is (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one.
What is the SMILES notation for (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one?
The canonical SMILES for (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one is O=C1C[C@@H]2C=C[C@@H](C2)C12OCCO2.
What is the InChIKey of (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one?
The InChIKey is WPXHKDIOLBGDDK-SFYZADRCSA-N. The full InChI is InChI=1S/C10H12O3/c11-9-6-7-1-2-8(5-7)10(9)12-3-4-13-10/h1-2,7-8H,3-6H2/t7-,8+/m1/s1.
What are the key properties of (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one?
(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one has a molecular weight of 180.20 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one is sourced from PubChem (CID 10856073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).