(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one

C19H34O2Si — CID 10958256

IUPAC(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one
SMILESCC1=CC(C)(C)C[C@@]2(C1)C(=O)CC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-14-11-18(5,6)13-19(12-14)15(20)9-10-16(19)21-22(7,8)17(2,3)4/h11,16H,9-10,12-13H2,1-8H3/t16-,19+/m1/s1
InChIKeyKKLSZLOZXXANIN-APWZRJJASA-N
MW322.57 g/mol
LogP5.49
Rot. Bonds2

About (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one

(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one (PubChem CID 10958256) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one.

Molecular Properties

Compound Name(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one
PubChem CID10958256
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one
SMILESCC1=CC(C)(C)C[C@@]2(C1)C(=O)CC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-14-11-18(5,6)13-19(12-14)15(20)9-10-16(19)21-22(7,8)17(2,3)4/h11,16H,9-10,12-13H2,1-8H3/t16-,19+/m1/s1
InChIKeyKKLSZLOZXXANIN-APWZRJJASA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.49
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'}

Analyze (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one with MolForge

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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 11808159
(1S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 11543713
(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
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 134892821
(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

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one?
The IUPAC name of (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one (CID 10958256) is (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one.
What is the SMILES notation for (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one?
The canonical SMILES for (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one is CC1=CC(C)(C)C[C@@]2(C1)C(=O)CC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one?
The InChIKey is KKLSZLOZXXANIN-APWZRJJASA-N. The full InChI is InChI=1S/C19H34O2Si/c1-14-11-18(5,6)13-19(12-14)15(20)9-10-16(19)21-22(7,8)17(2,3)4/h11,16H,9-10,12-13H2,1-8H3/t16-,19+/m1/s1.
What are the key properties of (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one?
(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one has a molecular weight of 322.57 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one is sourced from PubChem (CID 10958256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).