methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate

C14H24O4Si — CID 134964315

IUPACmethyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(=O)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-14(2,3)19(5,6)18-12-8-7-10(15)9-11(12)13(16)17-4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyOEIBQFJSQBGIRB-GFCCVEGCSA-N
MW284.43 g/mol
LogP2.84
Rot. Bonds3

About methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate

methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate (PubChem CID 134964315) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
PubChem CID134964315
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namemethyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(=O)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-14(2,3)19(5,6)18-12-8-7-10(15)9-11(12)13(16)17-4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyOEIBQFJSQBGIRB-GFCCVEGCSA-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

4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
CID 11108372
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11697037
methyl (1S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
CID 58379359
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
methyl (3aR,6S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 11348953
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetate
CID 10622375
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
methyl (6S)-6-[2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate
CID 99771675
methyl (1R,4S,5S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 156771632

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate?
The IUPAC name of methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate (CID 134964315) is methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate.
What is the SMILES notation for methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate?
The canonical SMILES for methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate is COC(=O)C1=CC(=O)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate?
The InChIKey is OEIBQFJSQBGIRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-14(2,3)19(5,6)18-12-8-7-10(15)9-11(12)13(16)17-4/h9,12H,7-8H2,1-6H3/t12-/m1/s1.
What are the key properties of methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate?
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate 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 methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate is sourced from PubChem (CID 134964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).