spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one

C12H16O3 — CID 134580097

IUPACspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CC3(CCC2CC1)OCCO3
InChIInChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9H,1-6,8H2
InChIKeyCXEDZCOXLSCZOL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds

About spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one

spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one (PubChem CID 134580097) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one
PubChem CID134580097
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namespiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CC3(CCC2CC1)OCCO3
InChIInChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9H,1-6,8H2
InChIKeyCXEDZCOXLSCZOL-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one (CID 134580097) is spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one is O=C1C=C2CC3(CCC2CC1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one?
The InChIKey is CXEDZCOXLSCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9H,1-6,8H2.
What are the key properties of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one?
spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 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-2,7'-3,4,4a,5,6,8-hexahydronaphthalene]-2'-one is sourced from PubChem (CID 134580097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).