[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate

C14H24O4Si — CID 11055207

IUPAC[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-10(15)17-12-8-7-11(16)9-13(12)18-19(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12?,13-/m1/s1
InChIKeyBUCPIRRLSBSYPS-ZGTCLIOFSA-N
MW284.43 g/mol
LogP2.84
Rot. Bonds3

About [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate

[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate (PubChem CID 11055207) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate
PubChem CID11055207
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-10(15)17-12-8-7-11(16)9-13(12)18-19(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12?,13-/m1/s1
InChIKeyBUCPIRRLSBSYPS-ZGTCLIOFSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-one
CID 101576209
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
2-[(E,3R,4R)-3-methyl-6-oxo-3,4-bis(triethylsilyloxy)oct-1-en-7-ynyl]-2,3-dihydropyran-6-one
CID 134831938
[(2R,3S,6S)-3-acetyloxy-6-(3,6-dioxo-4-trimethylsilylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134923963
[(2S,3S,6S)-3-acetyl-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134929139
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 135020560
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
CID 139261292

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate (CID 11055207) is [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate is CC(=O)OC1C=CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate?
The InChIKey is BUCPIRRLSBSYPS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-10(15)17-12-8-7-11(16)9-13(12)18-19(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12?,13-/m1/s1.
What are the key properties of [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate?
[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate has a molecular weight of 284.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 11055207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).