tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane

C14H28O4Si — CID 71819357

IUPACtert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@H]1CO1
InChIInChI=1S/C14H28O4Si/c1-8-11(18-19(6,7)14(2,3)4)13(12-9-16-12)17-10-15-5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13+/m1/s1
InChIKeyVWPMQPDXWIPSCK-UPJWGTAASA-N
MW288.46 g/mol
LogP2.95
Rot. Bonds8

About tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane (PubChem CID 71819357) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
PubChem CID71819357
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nametert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@H]1CO1
InChIInChI=1S/C14H28O4Si/c1-8-11(18-19(6,7)14(2,3)4)13(12-9-16-12)17-10-15-5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13+/m1/s1
InChIKeyVWPMQPDXWIPSCK-UPJWGTAASA-N
XLogP2.95
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxymethoxy]ethyl]silane
CID 13969334
trimethyl-[2-[[(2R)-1-(oxiran-2-yl)pent-4-en-2-yl]oxymethoxy]ethyl]silane
CID 134894371
tert-butyl-[(2R,3R)-3-(methoxymethoxy)-2-[(2S)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 11141190
(r)-1-(Tert-butyldimethylsilyloxy)-2-[(2-methoxyethoxy)methoxy]pent-4-ene
CID 25133554
Tert-butyl-[2-(2-methoxyethoxymethoxy)pent-4-enoxy]-dimethylsilane
CID 74391314
tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 87487976
triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
CID 10663386
tert-butyl-[[(2R,3R,4S)-3-(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 17755452
Tert-butyl-[3-(methoxymethoxy)-2-(oxiran-2-yl)pent-4-enoxy]-dimethylsilane
CID 17830603
trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane
CID 23240817
[(2R,3S,4R)-3,4-bis(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 50901696
tert-butyl-[(2R)-2-(methoxymethoxy)hex-5-enoxy]-dimethylsilane
CID 57413193

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane (CID 71819357) is tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@H]1CO1.
What is the InChIKey of tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is VWPMQPDXWIPSCK-UPJWGTAASA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-11(18-19(6,7)14(2,3)4)13(12-9-16-12)17-10-15-5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 288.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 71819357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).