4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one

C17H32O2Si — CID 10881015

IUPAC4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1C=CC(=O)CC1
InChIInChI=1S/C17H32O2Si/c1-13(2)16(14-8-10-15(18)11-9-14)12-19-20(6,7)17(3,4)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14?,16-/m1/s1
InChIKeyQYTXXDOJXLXPCX-BZSJEYESSA-N
MW296.53 g/mol
LogP4.82
Rot. Bonds5

About 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one

4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one (PubChem CID 10881015) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one
PubChem CID10881015
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1C=CC(=O)CC1
InChIInChI=1S/C17H32O2Si/c1-13(2)16(14-8-10-15(18)11-9-14)12-19-20(6,7)17(3,4)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14?,16-/m1/s1
InChIKeyQYTXXDOJXLXPCX-BZSJEYESSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.82
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

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(1S,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(hydroxymethyl)spiro[4.5]deca-3,9-dien-8-one
CID 127041222
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
Prosta-10,13-dien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)-
CID 5352363
PGA1, methyl ester, trimethylsilyl ether
CID 91743543
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
1-[(1R,2S,3S,4S)-3-[2-tri(propan-2-yl)silyloxyethyl]-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-one
CID 11703011
(1S,3E,8E,10E)-1-cyclohexyl-12-methyl-1-triethylsilyloxytrideca-3,8,10-trien-2-one
CID 13186568
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
(5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-6-pentylcyclohept-3-en-1-one
CID 16107327
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one?
The IUPAC name of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one (CID 10881015) is 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one is CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1C=CC(=O)CC1.
What is the InChIKey of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one?
The InChIKey is QYTXXDOJXLXPCX-BZSJEYESSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(2)16(14-8-10-15(18)11-9-14)12-19-20(6,7)17(3,4)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14?,16-/m1/s1.
What are the key properties of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one?
4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one has a molecular weight of 296.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 10881015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).