5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one

C15H28O3Si — CID 135023286

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
SMILESC=CCC1OC(CCO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H28O3Si/c1-7-8-14-13(16)11-12(18-14)9-10-17-19(5,6)15(2,3)4/h7,12,14H,1,8-11H2,2-6H3
InChIKeyVBGRTSQRAKVVBP-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.70
Rot. Bonds6

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one (PubChem CID 135023286) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
PubChem CID135023286
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
SMILESC=CCC1OC(CCO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H28O3Si/c1-7-8-14-13(16)11-12(18-14)9-10-17-19(5,6)15(2,3)4/h7,12,14H,1,8-11H2,2-6H3
InChIKeyVBGRTSQRAKVVBP-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.70
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

5-(2-methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
tert-butyl-[2-[(2R,3R,6S)-3-(2-methoxyethoxymethoxy)-6-prop-2-enyloxan-2-yl]ethoxy]-dimethylsilane
CID 46894694
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
(2R,6R)-6-methyl-2-prop-2-enyloxan-3-one
CID 11126475
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
(4S,5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylspiro[4.4]nonan-2-one
CID 11088211
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71762485
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
tert-butyl-diphenyl-[2-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]silane
CID 122400498
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one (CID 135023286) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one is C=CCC1OC(CCO[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one?
The InChIKey is VBGRTSQRAKVVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-8-14-13(16)11-12(18-14)9-10-17-19(5,6)15(2,3)4/h7,12,14H,1,8-11H2,2-6H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one has a molecular weight of 284.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one is sourced from PubChem (CID 135023286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).