8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one

C14H18O6 — CID 101022056

IUPAC8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one
SMILESCOC1(OC)C=CC(=O)C2=C1CC1(CC2O)OCCO1
InChIInChI=1S/C14H18O6/c1-17-14(18-2)4-3-10(15)12-9(14)7-13(8-11(12)16)19-5-6-20-13/h3-4,11,16H,5-8H2,1-2H3
InChIKeyZQKXTOBIVOECHI-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.31
Rot. Bonds2

About 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one

8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one (PubChem CID 101022056) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one.

Molecular Properties

Compound Name8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one
PubChem CID101022056
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one
SMILESCOC1(OC)C=CC(=O)C2=C1CC1(CC2O)OCCO1
InChIInChI=1S/C14H18O6/c1-17-14(18-2)4-3-10(15)12-9(14)7-13(8-11(12)16)19-5-6-20-13/h3-4,11,16H,5-8H2,1-2H3
InChIKeyZQKXTOBIVOECHI-UHFFFAOYSA-N
XLogP0.31
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-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

Related Compounds

3-hydroxy-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 130031634
8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 132513330
2,3,4,4-tetramethoxycyclohexa-2,5-dien-1-one
CID 118664501
(9S)-9-methyl-1,4,8-trioxaspiro[4.5]decan-7-one
CID 172915854
2,2-dimethoxycyclopent-3-en-1-one
CID 70009415
(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54688327
(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one;(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 160614712
N-(6,6-dimethoxy-3-oxocyclohexa-1,4-dien-1-yl)acetamide
CID 10856763
7-methoxy-1,4-dioxaspiro[4.5]decan-8-one
CID 123852944
methyl 3'-methyl-9'-oxospiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 85357555
ethyl (1'R,2'S,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
CID 14061415

Frequently Asked Questions

What is the IUPAC name of 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one?
The IUPAC name of 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one (CID 101022056) is 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one.
What is the SMILES notation for 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one?
The canonical SMILES for 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one is COC1(OC)C=CC(=O)C2=C1CC1(CC2O)OCCO1.
What is the InChIKey of 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one?
The InChIKey is ZQKXTOBIVOECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-17-14(18-2)4-3-10(15)12-9(14)7-13(8-11(12)16)19-5-6-20-13/h3-4,11,16H,5-8H2,1-2H3.
What are the key properties of 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one?
8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one has a molecular weight of 282.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-hydroxy-4',4'-dimethoxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-one is sourced from PubChem (CID 101022056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).