tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate

C19H34O4Si — CID 102220994

IUPACtert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate
SMILESCC(=O)C(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O4Si/c1-13(20)16(17(21)22-18(2,3)4)14-10-11-15(12-14)23-24(8,9)19(5,6)7/h10-11,14-16H,12H2,1-9H3/t14-,15+,16?/m0/s1
InChIKeyQJQLENPEEFTURB-QMRHZFGWSA-N
MW354.56 g/mol
LogP4.50
Rot. Bonds5

About tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate

tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate (PubChem CID 102220994) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate
PubChem CID102220994
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nametert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate
SMILESCC(=O)C(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O4Si/c1-13(20)16(17(21)22-18(2,3)4)14-10-11-15(12-14)23-24(8,9)19(5,6)7/h10-11,14-16H,12H2,1-9H3/t14-,15+,16?/m0/s1
InChIKeyQJQLENPEEFTURB-QMRHZFGWSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
ethyl 3-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohepta-2,4-dien-1-yl]propanoate
CID 11005096
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
tert-butyl (1S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 53306128
tert-butyl 3-amino-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 171756063
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 11823786

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate?
The IUPAC name of tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate (CID 102220994) is tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate.
What is the SMILES notation for tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate?
The canonical SMILES for tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate is CC(=O)C(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate?
The InChIKey is QJQLENPEEFTURB-QMRHZFGWSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-13(20)16(17(21)22-18(2,3)4)14-10-11-15(12-14)23-24(8,9)19(5,6)7/h10-11,14-16H,12H2,1-9H3/t14-,15+,16?/m0/s1.
What are the key properties of tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate?
tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate has a molecular weight of 354.56 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate is sourced from PubChem (CID 102220994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).