tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate

C19H34O4Si — CID 134855617

IUPACtert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate
SMILESCC1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,13,15H,10,12H2,1-9H3/b14-11+/t13?,15-/m1/s1
InChIKeyIYAAKJWIARCPQQ-QTVXHFNTSA-N
MW354.56 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate

tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate (PubChem CID 134855617) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate
PubChem CID134855617
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nametert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate
SMILESCC1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,13,15H,10,12H2,1-9H3/b14-11+/t13?,15-/m1/s1
InChIKeyIYAAKJWIARCPQQ-QTVXHFNTSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11245607
methyl (2E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11280117
(6R)-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-(3-methylbut-2-enyl)-6-tri(propan-2-yl)silyloxyheptane-2,4-dione
CID 134839306
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6S)-6-[(2S,3R)-2-methoxy-3-methyl-4-oxopentyl]oxan-2-yl]-4-methylocta-2,4-dienoate
CID 134900066
methyl (2E,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 173665165
methyl 2-[(1R,3R)-3,7-dimethyl-1-trimethylsilyloxyoct-6-enyl]-5-oxocyclopentene-1-carboxylate
CID 9999009
[(Z,1R,3R)-3,4-dimethyl-1-(6-oxocyclohexen-1-yl)-6-trimethylsilylhex-4-enyl] acetate
CID 10860664
tert-butyl (E,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-7-oxonon-2-enoate
CID 10937878
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-oxopentyl]-3,6-dihydro-2H-pyran-6-yl]-4-methylocta-2,4-dienoate
CID 10984018
methyl (2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxoundeca-2,8-dienoate
CID 11394957
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-oxopentyl]-3,6-dihydro-2H-pyran-6-yl]-2-methylhex-2-enoate
CID 11397530
[(E,1S,3R)-3,4-dimethyl-1-(6-oxocyclohexen-1-yl)-6-trimethylsilylhex-4-enyl] acetate
CID 11823920

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate?
The IUPAC name of tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate (CID 134855617) is tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate.
What is the SMILES notation for tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate?
The canonical SMILES for tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate is CC1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate?
The InChIKey is IYAAKJWIARCPQQ-QTVXHFNTSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,13,15H,10,12H2,1-9H3/b14-11+/t13?,15-/m1/s1.
What are the key properties of tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate?
tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate has a molecular weight of 354.56 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclohexylidene]acetate is sourced from PubChem (CID 134855617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).