(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one

C16H28O2Si — CID 53495435

IUPAC(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@]2(C)CCC[C@@H]1C2=O
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(5,6)18-13-9-11-16(4)10-7-8-12(13)14(16)17/h9,12H,7-8,10-11H2,1-6H3/t12-,16-/m0/s1
InChIKeyGWCSLFYUEGTQNL-LRDDRELGSA-N
MW280.48 g/mol
LogP4.67
Rot. Bonds2

About (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one

(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one (PubChem CID 53495435) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one.

Molecular Properties

Compound Name(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one
PubChem CID53495435
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@]2(C)CCC[C@@H]1C2=O
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(5,6)18-13-9-11-16(4)10-7-8-12(13)14(16)17/h9,12H,7-8,10-11H2,1-6H3/t12-,16-/m0/s1
InChIKeyGWCSLFYUEGTQNL-LRDDRELGSA-N
XLogP4.67
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 ≤ 54.67
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

(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
CID 11395717
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
(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
CID 134858472
(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylspiro[5.5]undec-2-en-11-one
CID 135019696
2-[3-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
CID 164667305
(1S,3S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
CID 10108520
ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate
CID 10564736
(1R,4R)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]oct-5-en-2-one
CID 11368778
(4R,4aS,6R,10aS)-2-[tert-butyl(dimethyl)silyl]oxy-4,4a,6-trimethyl-1,4,6,7,8,9,10,10a-octahydrobenzo[8]annulen-5-one
CID 11405421
(1S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enylbicyclo[3.2.1]oct-6-en-2-one
CID 11748803
(4aS,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a,8,8-trimethyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
CID 15984226
(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one
CID 53360069

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one?
The IUPAC name of (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one (CID 53495435) is (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one.
What is the SMILES notation for (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one?
The canonical SMILES for (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one is CC(C)(C)[Si](C)(C)OC1=CC[C@]2(C)CCC[C@@H]1C2=O.
What is the InChIKey of (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one?
The InChIKey is GWCSLFYUEGTQNL-LRDDRELGSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-15(2,3)19(5,6)18-13-9-11-16(4)10-7-8-12(13)14(16)17/h9,12H,7-8,10-11H2,1-6H3/t12-,16-/m0/s1.
What are the key properties of (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one?
(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one has a molecular weight of 280.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one is sourced from PubChem (CID 53495435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).