(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one

C12H21IO2Si — CID 139249224

IUPAC(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)C1=O
InChIInChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyKVNVLTHSXIAPPZ-SNVBAGLBSA-N
MW352.29 g/mol
LogP4.06
Rot. Bonds2

About (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one

(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one (PubChem CID 139249224) has the molecular formula C12H21IO2Si and a molecular weight of 352.29 g/mol. Its IUPAC name is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
PubChem CID139249224
Molecular FormulaC12H21IO2Si
Molecular Weight352.29 g/mol
Exact Mass352.04
IUPAC Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)C1=O
InChIInChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyKVNVLTHSXIAPPZ-SNVBAGLBSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 15410931
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 134861146
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
6-(Tert-butyldimethylsilyloxy)cyclohex-2-enone
CID 102133175
6-Triethylsilyloxycyclohex-2-en-1-one
CID 139985457
6-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985488
(6E)-6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 154327342
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 173639122
4-[Tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 10926206
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 13819966

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one (CID 139249224) is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)C1=O.
What is the InChIKey of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The InChIKey is KVNVLTHSXIAPPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10H,6,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one has a molecular weight of 352.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one is sourced from PubChem (CID 139249224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).