(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

C13H24O2Si — CID 24814599

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESCC1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10?,11-/m1/s1
InChIKeyVRTSKDNGIAEZAS-RRKGBCIJSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds2

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (PubChem CID 24814599) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
PubChem CID24814599
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESCC1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10?,11-/m1/s1
InChIKeyVRTSKDNGIAEZAS-RRKGBCIJSA-N
XLogP3.54
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 ≤ 53.54
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

4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one
CID 11809084
(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11277733
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(3aR,4S,6R,7Z,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-4,5,6,9a-tetrahydro-3aH-cycloocta[d][1,3]dioxol-9-one
CID 139262763
(3aR,5R,5aS,6R,7R,8aR,8bR)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-methyl-4,5,5a,6,7,8,8a,8b-octahydro-3aH-as-indacen-3-one
CID 99771745
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10913556

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (CID 24814599) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is CC1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The InChIKey is VRTSKDNGIAEZAS-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10?,11-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 24814599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).