(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one

C17H30O2Si — CID 11645038

IUPAC(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
SMILESC[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O
InChIInChI=1S/C17H30O2Si/c1-13-9-7-11-15(17(13)12-8-10-14(17)18)19-20(5,6)16(2,3)4/h7,9,13,15H,8,10-12H2,1-6H3/t13-,15-,17+/m1/s1
InChIKeyORLRJYYLVAKPIC-UNEWFSDZSA-N
MW294.51 g/mol
LogP4.71
Rot. Bonds2

About (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one

(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one (PubChem CID 11645038) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one.

Molecular Properties

Compound Name(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
PubChem CID11645038
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
SMILESC[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O
InChIInChI=1S/C17H30O2Si/c1-13-9-7-11-15(17(13)12-8-10-14(17)18)19-20(5,6)16(2,3)4/h7,9,13,15H,8,10-12H2,1-6H3/t13-,15-,17+/m1/s1
InChIKeyORLRJYYLVAKPIC-UNEWFSDZSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.71
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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Launch Full Analysis

Related Compounds

2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone
CID 5469502
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
(3S,3aR,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 12167631
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(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
ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
CID 102275965
(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
(3S,3aS,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 134980131
2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 135019356

Frequently Asked Questions

What is the IUPAC name of (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one?
The IUPAC name of (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one (CID 11645038) is (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one.
What is the SMILES notation for (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one?
The canonical SMILES for (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one is C[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O.
What is the InChIKey of (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one?
The InChIKey is ORLRJYYLVAKPIC-UNEWFSDZSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-13-9-7-11-15(17(13)12-8-10-14(17)18)19-20(5,6)16(2,3)4/h7,9,13,15H,8,10-12H2,1-6H3/t13-,15-,17+/m1/s1.
What are the key properties of (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one?
(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one has a molecular weight of 294.51 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one is sourced from PubChem (CID 11645038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).