methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate

C28H32O5Si — CID 10480127

IUPACmethyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C(C[Si](C)(c3ccccc3)c3ccccc3)=C1CCC1(C2)OCCO1
InChIInChI=1S/C28H32O5Si/c1-31-26(30)27-15-14-25(29)23(24(27)13-16-28(20-27)32-17-18-33-28)19-34(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKeyKQFGWAFYUIDQLI-UHFFFAOYSA-N
MW476.65 g/mol
LogP3.63
Rot. Bonds5

About methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate

methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate (PubChem CID 10480127) has the molecular formula C28H32O5Si and a molecular weight of 476.65 g/mol. Its IUPAC name is methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate.

Molecular Properties

Compound Namemethyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
PubChem CID10480127
Molecular FormulaC28H32O5Si
Molecular Weight476.65 g/mol
Exact Mass476.20
IUPAC Namemethyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C(C[Si](C)(c3ccccc3)c3ccccc3)=C1CCC1(C2)OCCO1
InChIInChI=1S/C28H32O5Si/c1-31-26(30)27-15-14-25(29)23(24(27)13-16-28(20-27)32-17-18-33-28)19-34(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKeyKQFGWAFYUIDQLI-UHFFFAOYSA-N
XLogP3.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate with MolForge

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Related Compounds

methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 10025819
methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate
CID 23631609
methyl 3-phenyl-2,4-dihydropyran-3-carboxylate
CID 132502449
8-benzyl-7-methyl-1,4-dioxaspiro[4.5]decane-7,8-dicarboxylic acid
CID 118011103
dimethyl (1R,5S)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 727231
methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
(7'aR)-7'a-methyl-4'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 118179616
dimethyl 9-oxobicyclo[4.2.1]non-3-ene-1,6-dicarboxylate
CID 15827639
methyl 3'-methyl-9'-oxospiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 85357555
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
methyl 8-(1,3-thiazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030563

Frequently Asked Questions

What is the IUPAC name of methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The IUPAC name of 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) is methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate.
What is the SMILES notation for methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The canonical SMILES for methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate is COC(=O)C12CCC(=O)C(C[Si](C)(c3ccccc3)c3ccccc3)=C1CCC1(C2)OCCO1.
What is the InChIKey of methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The InChIKey is KQFGWAFYUIDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O5Si/c1-31-26(30)27-15-14-25(29)23(24(27)13-16-28(20-27)32-17-18-33-28)19-34(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3.
What are the key properties of methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate has a molecular weight of 476.65 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8'-[[methyl(diphenyl)silyl]methyl]-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate is sourced from PubChem (CID 10480127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).