(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one

C16H28O2Si — CID 14395179

IUPAC(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C[C@@]12CCCCC2=O
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-8-12-16(14)11-7-6-9-13(16)17/h8,12,14H,6-7,9-11H2,1-5H3/t14-,16-/m1/s1
InChIKeyDHCSVGICXQCXMF-GDBMZVCRSA-N
MW280.48 g/mol
LogP4.47
Rot. Bonds2

About (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one (PubChem CID 14395179) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one.

Molecular Properties

Compound Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one
PubChem CID14395179
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C[C@@]12CCCCC2=O
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-8-12-16(14)11-7-6-9-13(16)17/h8,12,14H,6-7,9-11H2,1-5H3/t14-,16-/m1/s1
InChIKeyDHCSVGICXQCXMF-GDBMZVCRSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone
CID 5469502
3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-one
CID 11022792
(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 11645038
cis-(2R,4R)-3,3-dimethyl-4-(3-methylbut-2-enyl)-2-[(1R)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]cyclohexan-1-one
CID 11683250
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
CID 57413056
(5R,6S,10R)-7-bromo-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 102275966
1-[Tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one
CID 102422283
(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylspiro[5.5]undec-2-en-11-one
CID 135019696
(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)-7-((E)-but-2-en-1-yl)-3-((tert-butyldimethylsilyl)oxy)-7-methyl-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786860

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one?
The IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one (CID 14395179) is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one.
What is the SMILES notation for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one?
The canonical SMILES for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC=C[C@@]12CCCCC2=O.
What is the InChIKey of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one?
The InChIKey is DHCSVGICXQCXMF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-14-10-8-12-16(14)11-7-6-9-13(16)17/h8,12,14H,6-7,9-11H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one?
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-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 (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-1-en-10-one is sourced from PubChem (CID 14395179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).