1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one

C16H28O2Si — CID 102422283

IUPAC1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)C12CCCCC2
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-9-13(17)16(14)11-7-6-8-12-16/h9-10,14H,6-8,11-12H2,1-5H3
InChIKeyNHEQILRXDGDAFA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.47
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one

1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one (PubChem CID 102422283) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one
PubChem CID102422283
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)C12CCCCC2
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-9-13(17)16(14)11-7-6-8-12-16/h9-10,14H,6-8,11-12H2,1-5H3
InChIKeyNHEQILRXDGDAFA-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.47
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

(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 11645038
(6R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-9-one
CID 101792046
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-6-(3-oxobutyl)cyclohex-2-en-1-one
CID 134961705
(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylspiro[5.5]undec-2-en-11-one
CID 135019696
(2R,12R)-14-methoxy-12-methyl-2-tri(propan-2-yl)silyloxybicyclo[10.3.1]hexadeca-1(15),13-dien-16-one
CID 139039094
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one
CID 154720048
(3R,7R)-3-((tert-butyldimethylsilyl)oxy)-7-methyl-7-(3-methylbut-2-en-1-yl)-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786780
(3R,7R)-3-((tert-butyldimethylsilyl)oxy)-7-methyl-7-((3-methyloxiran-2-yl)methyl)-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786783
(3R,7R)-3-((tert-butyldimethylsilyl)oxy)-7-((3,3-dimethyloxiran-2-yl)methyl)-7-methyl-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786827
4-(3-((Tert-butyldimethylsilyl)oxy)propyl)-4-(3-methylbut-2-en-1-yl)cyclohex-2-en-1-one
CID 162786833
(3R,7R)-7-((E)-but-2-en-1-yl)-3-((tert-butyldimethylsilyl)oxy)-7-methyl-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786860
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one (CID 102422283) is 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)C12CCCCC2.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one?
The InChIKey is NHEQILRXDGDAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-9-13(17)16(14)11-7-6-8-12-16/h9-10,14H,6-8,11-12H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one?
1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one has a molecular weight of 280.48 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 102422283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).