spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one

C12H12O3 — CID 156631393

IUPACspiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one
SMILESO=C1C=CC=C2CC3(CC=C12)OCCO3
InChIInChI=1S/C12H12O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-4H,5-8H2
InChIKeyATNWTAQMIOIZIU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.51
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one

spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one (PubChem CID 156631393) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one
PubChem CID156631393
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namespiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one
SMILESO=C1C=CC=C2CC3(CC=C12)OCCO3
InChIInChI=1S/C12H12O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-4H,5-8H2
InChIKeyATNWTAQMIOIZIU-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.51
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-2,6'-5,7-dihydronaphthalene]-1'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one (CID 156631393) is spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one is O=C1C=CC=C2CC3(CC=C12)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one?
The InChIKey is ATNWTAQMIOIZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-4H,5-8H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one?
spiro[1,3-dioxolane-2,6'-5,7-dihydronaphthalene]-1'-one has a molecular weight of 204.22 g/mol, XLogP of 1.51, 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'-5,7-dihydronaphthalene]-1'-one is sourced from PubChem (CID 156631393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).