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

C12H16O3 — CID 71097298

IUPACspiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one
SMILESO=C1C=CCC2CC3(CCC12)OCCO3
InChIInChI=1S/C12H16O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1,3,9-10H,2,4-8H2
InChIKeyMXLOFMTWBWDYHX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.67
Rot. Bonds

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

spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one (PubChem CID 71097298) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one
PubChem CID71097298
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namespiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one
SMILESO=C1C=CCC2CC3(CCC12)OCCO3
InChIInChI=1S/C12H16O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1,3,9-10H,2,4-8H2
InChIKeyMXLOFMTWBWDYHX-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one (CID 71097298) is spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one is O=C1C=CCC2CC3(CCC12)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one?
The InChIKey is MXLOFMTWBWDYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1,3,9-10H,2,4-8H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one?
spiro[1,3-dioxolane-2,6'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one has a molecular weight of 208.26 g/mol, XLogP of 1.67, 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'-4,4a,5,7,8,8a-hexahydronaphthalene]-1'-one is sourced from PubChem (CID 71097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).