(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one

C13H24O2Si — CID 177437552

IUPAC(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyJRFGUUAFXJYIBK-GFCCVEGCSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds2

About (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one

(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one (PubChem CID 177437552) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
PubChem CID177437552
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyJRFGUUAFXJYIBK-GFCCVEGCSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.69
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

3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 15649272
6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
3-But-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10706768
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 12666238
4-((tert-Butyldimethylsilyl)oxy)-3-methylcyclohex-2-en-1-one
CID 12666239
2-Butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689918
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 139249224
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
CID 155933052
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one (CID 177437552) is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one is CC1=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one?
The InChIKey is JRFGUUAFXJYIBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1.
What are the key properties of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one?
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.69, 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-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 177437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).