(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one

C12H22O3Si — CID 44521374

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one
SMILESC=C[C@H]1OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-7-9-10(8-11(13)14-9)15-16(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m1/s1
InChIKeyWGWSWPAREJIJCK-NXEZZACHSA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds3

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one (PubChem CID 44521374) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one
PubChem CID44521374
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one
SMILESC=C[C@H]1OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-7-9-10(8-11(13)14-9)15-16(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m1/s1
InChIKeyWGWSWPAREJIJCK-NXEZZACHSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
CID 10685800
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one
CID 89612176
(3E,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-propylideneoxolan-2-one
CID 174036209
methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
CID 10356788
[(2R,3R)-2-ethenyl-5-oxooxolan-3-yl] acetate
CID 11355718
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate
CID 15522237

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one (CID 44521374) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one is C=C[C@H]1OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one?
The InChIKey is WGWSWPAREJIJCK-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-7-9-10(8-11(13)14-9)15-16(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one has a molecular weight of 242.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one is sourced from PubChem (CID 44521374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).