(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one

C11H14O3 — CID 10012850

IUPAC(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one
SMILESO=C1C[C@H]2C=C[C@@H]1CCC21OCCO1
InChIInChI=1S/C11H14O3/c12-10-7-9-2-1-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2/t8-,9-/m1/s1
InChIKeyCPIYJEKTJATYLT-RKDXNWHRSA-N
MW194.23 g/mol
LogP1.28
Rot. Bonds

About (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one

(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one (PubChem CID 10012850) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one.

Molecular Properties

Compound Name(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one
PubChem CID10012850
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one
SMILESO=C1C[C@H]2C=C[C@@H]1CCC21OCCO1
InChIInChI=1S/C11H14O3/c12-10-7-9-2-1-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2/t8-,9-/m1/s1
InChIKeyCPIYJEKTJATYLT-RKDXNWHRSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.28
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'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one?
The IUPAC name of (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one (CID 10012850) is (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one.
What is the SMILES notation for (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one?
The canonical SMILES for (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one is O=C1C[C@H]2C=C[C@@H]1CCC21OCCO1.
What is the InChIKey of (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one?
The InChIKey is CPIYJEKTJATYLT-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-7-9-2-1-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2/t8-,9-/m1/s1.
What are the key properties of (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one?
(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one has a molecular weight of 194.23 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one is sourced from PubChem (CID 10012850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).