spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one

C11H14O3 — CID 567531

IUPACspiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one
SMILESO=C1CC2C=CCC(C1)C21OCCO1
InChIInChI=1S/C11H14O3/c12-10-6-8-2-1-3-9(7-10)11(8)13-4-5-14-11/h1-2,8-9H,3-7H2
InChIKeySHHOPKAKPMOQIT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.28
Rot. Bonds

About spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one

spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one (PubChem CID 567531) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one
PubChem CID567531
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namespiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one
SMILESO=C1CC2C=CCC(C1)C21OCCO1
InChIInChI=1S/C11H14O3/c12-10-6-8-2-1-3-9(7-10)11(8)13-4-5-14-11/h1-2,8-9H,3-7H2
InChIKeySHHOPKAKPMOQIT-UHFFFAOYSA-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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Related Compounds

7-Cyclopent-2-en-1-yl-1,4-dioxaspiro[4.5]decan-8-one
CID 289533
8,8-Ethylenedioxybicyclo[3.3.1]non-2-en-4-one
CID 567197
1,4-Dioxadispiro[4.0.56.45]pentadec-9-en-7-one
CID 11806268
Spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one
CID 13462737
4'-Methylspiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one
CID 21634172
7'-Methylidenespiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]nonane]-3'-one
CID 12389464
Spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one
CID 58609533
7-[(E)-but-2-enyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 177206913
(1'S,5'S)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-one
CID 10012850
(1'R,5'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-3'-one
CID 10856073
1-[(6S,8E)-8-ethylidene-1,4-dioxaspiro[4.5]decan-6-yl]propan-2-one
CID 10933111
(5R)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]cyclohex-3-en-1-one
CID 15946673

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one?
The IUPAC name of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one (CID 567531) is spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one is O=C1CC2C=CCC(C1)C21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one?
The InChIKey is SHHOPKAKPMOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-6-8-2-1-3-9(7-10)11(8)13-4-5-14-11/h1-2,8-9H,3-7H2.
What are the key properties of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one?
spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-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 spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-6-ene]-3'-one is sourced from PubChem (CID 567531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).