8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one

C17H32O2Si — CID 161256260

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVBYMNAPBHKGXAI-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.94
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one

8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one (PubChem CID 161256260) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
PubChem CID161256260
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVBYMNAPBHKGXAI-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
(1R,3aR,7aR)-7a-methyl-1-[(2R,5R)-6-methyl-5-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 156904489
1-((1S,3AR,4S,7AS)-7A-Methyl-4-((triethylsilyl)oxy)octahydro-1H-inden-1-YL)ethan-1-one
CID 10543019
Ethanone, 1-[(1S,3aR,4S,7aS)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octahydro-7a-methyl-1H-inden-1-yl]-
CID 11833871
(1R,3aR,7aR)-1-[(2S,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 49857312
(1R,3aR,7aR)-1-[(2S,6R)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 49857507
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
(3aR,5S,7R,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 56958737
(2S,3S,3aR,7aR)-2-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3-propan-2-yl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
CID 62706454
(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one
CID 154716088
(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one
CID 10830887
trans-(3S,5S)-3-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15356455

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one (CID 161256260) is 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one is CC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
The InChIKey is VBYMNAPBHKGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one has a molecular weight of 296.53 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one is sourced from PubChem (CID 161256260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).