(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one

C14H26O2Si — CID 23631211

IUPAC(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
SMILESCC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C14H26O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1
InChIKeyZRACMHFRJMGVBS-CMPLNLGQSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds2

About (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one

(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one (PubChem CID 23631211) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
PubChem CID23631211
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
SMILESCC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C14H26O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1
InChIKeyZRACMHFRJMGVBS-CMPLNLGQSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
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

5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
CID 11047381
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
CID 59165100
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one (CID 23631211) is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one is CC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one?
The InChIKey is ZRACMHFRJMGVBS-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1.
What are the key properties of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one?
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 23631211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).