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

C11H14O3 — CID 567197

IUPACspiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one
SMILESO=C1C=CC2CC1CCC21OCCO1
InChIInChI=1S/C11H14O3/c12-10-2-1-9-7-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2
InChIKeyVAVIJAXWYUIVEN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.28
Rot. Bonds

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

spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one (PubChem CID 567197) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one
PubChem CID567197
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namespiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one
SMILESO=C1C=CC2CC1CCC21OCCO1
InChIInChI=1S/C11H14O3/c12-10-2-1-9-7-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2
InChIKeyVAVIJAXWYUIVEN-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

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Related Compounds

4-(1,4-Dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758
(5'S,8'aS)-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one
CID 90662294
(8'aS)-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one
CID 361365
5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one
CID 494452
9,9-Ethylenedioxybicyclo[3.3.1]non-2-en-7-one
CID 567531
(4'aR)-4'a-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10800578
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
Spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one
CID 14063434
4-(1,4-Dioxaspiro[4.5]decan-8-yl)cyclopent-2-en-1-one
CID 58562849
Spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one
CID 58609533
Spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one
CID 71097298

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one (CID 567197) is spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one is O=C1C=CC2CC1CCC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one?
The InChIKey is VAVIJAXWYUIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-2-1-9-7-8(10)3-4-11(9)13-5-6-14-11/h1-2,8-9H,3-7H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one?
spiro[1,3-dioxolane-2,6'-bicyclo[3.3.1]non-3-ene]-2'-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-2,6'-bicyclo[3.3.1]non-3-ene]-2'-one is sourced from PubChem (CID 567197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).