spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol

C12H18O3 — CID 134582886

IUPACspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol
SMILESOC1C=C2CC3(CCC2CC1)OCCO3
InChIInChI=1S/C12H18O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9,11,13H,1-6,8H2
InChIKeyWUTBXDCNJXGKKZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.61
Rot. Bonds

About spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol

spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol (PubChem CID 134582886) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol
PubChem CID134582886
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namespiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol
SMILESOC1C=C2CC3(CCC2CC1)OCCO3
InChIInChI=1S/C12H18O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9,11,13H,1-6,8H2
InChIKeyWUTBXDCNJXGKKZ-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol 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-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol?
The IUPAC name of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol (CID 134582886) is spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol.
What is the SMILES notation for spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol?
The canonical SMILES for spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol is OC1C=C2CC3(CCC2CC1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol?
The InChIKey is WUTBXDCNJXGKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h7,9,11,13H,1-6,8H2.
What are the key properties of spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol?
spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol has a molecular weight of 210.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 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-hexahydro-2H-naphthalene]-2'-ol is sourced from PubChem (CID 134582886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).