methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate

C16H22O5 — CID 23631609

IUPACmethyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C(C)(C)C1=CCC1(C2)OCCO1
InChIInChI=1S/C16H22O5/c1-14(2)11-4-7-16(20-8-9-21-16)10-15(11,13(18)19-3)6-5-12(14)17/h4H,5-10H2,1-3H3
InChIKeyCULMOXLOPOPNHF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.00
Rot. Bonds1

About methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate

methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate (PubChem CID 23631609) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate.

Molecular Properties

Compound Namemethyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate
PubChem CID23631609
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namemethyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C(C)(C)C1=CCC1(C2)OCCO1
InChIInChI=1S/C16H22O5/c1-14(2)11-4-7-16(20-8-9-21-16)10-15(11,13(18)19-3)6-5-12(14)17/h4H,5-10H2,1-3H3
InChIKeyCULMOXLOPOPNHF-UHFFFAOYSA-N
XLogP2.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate with MolForge

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Related Compounds

dimethyl (1R,5S)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 727231
ethyl 7,7-dimethyl-6-oxo-2,3,4,5-tetrahydroindene-3a-carboxylate
CID 11064400
methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
CID 10480127
methyl 3'-methyl-9'-oxospiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 85357555
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
dimethyl 9-oxobicyclo[4.2.1]non-3-ene-1,6-dicarboxylate
CID 15827639
4,4,8a-trimethyl-3-oxospiro[1,2,6,8-tetrahydronaphthalene-7,2'-1,3-dioxolane]-2-carbonitrile
CID 138660914
[(1R)-4b,8,8,10a-tetramethyl-7-oxo-1,2,3,5,6,10-hexahydrophenanthren-1-yl] acetate
CID 70672709
methyl (5aR,8aR)-8a-methyl-6-oxo-3,4,7,8-tetrahydro-2H-cyclopenta[b][1,4]dioxepine-5a-carboxylate
CID 10513530
dimethyl 1,4-dioxaspiro[4.5]dec-6-ene-9,9-dicarboxylate
CID 121003810
methyl 8-(1,3-thiazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030563
methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
CID 134867325

Frequently Asked Questions

What is the IUPAC name of methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate?
The IUPAC name of methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate (CID 23631609) is methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate.
What is the SMILES notation for methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate?
The canonical SMILES for methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate is COC(=O)C12CCC(=O)C(C)(C)C1=CCC1(C2)OCCO1.
What is the InChIKey of methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate?
The InChIKey is CULMOXLOPOPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-14(2)11-4-7-16(20-8-9-21-16)10-15(11,13(18)19-3)6-5-12(14)17/h4H,5-10H2,1-3H3.
What are the key properties of methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate?
methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate is sourced from PubChem (CID 23631609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).