4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one

C16H30O2Si — CID 90036942

IUPAC4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3
InChIKeyOMNXRJJVNHXDCU-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.69
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one

4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one (PubChem CID 90036942) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
PubChem CID90036942
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3
InChIKeyOMNXRJJVNHXDCU-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.69
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

9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(1S,2'R,4R,5S)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[6-oxabicyclo[3.1.0]hexane-4,1'-cyclopentane]-2-one
CID 11437525
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one
CID 101227252

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one (CID 90036942) is 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one is CC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
The InChIKey is OMNXRJJVNHXDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one has a molecular weight of 282.50 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one is sourced from PubChem (CID 90036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).