tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane

C28H42O3Si2 — CID 177480214

IUPACtert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane
SMILESC=CC[C@@H](O[Si](C)(C)C)[C@H]1O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O3Si2/c1-9-16-25(31-32(6,7)8)27-26(30-27)22(2)21-29-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,22,25-27H,1,16,21H2,2-8H3/t22-,25+,26+,27+/m0/s1
InChIKeyMXHPZEXPJKHOHD-KVVRFYPFSA-N
MW482.81 g/mol
LogP5.76
Rot. Bonds11

About tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane

tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane (PubChem CID 177480214) has the molecular formula C28H42O3Si2 and a molecular weight of 482.81 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane
PubChem CID177480214
Molecular FormulaC28H42O3Si2
Molecular Weight482.81 g/mol
Exact Mass482.27
IUPAC Nametert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane
SMILESC=CC[C@@H](O[Si](C)(C)C)[C@H]1O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O3Si2/c1-9-16-25(31-32(6,7)8)27-26(30-27)22(2)21-29-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,22,25-27H,1,16,21H2,2-8H3/t22-,25+,26+,27+/m0/s1
InChIKeyMXHPZEXPJKHOHD-KVVRFYPFSA-N
XLogP5.76
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 55.76
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
CID 101042348
CID 101042348
(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one
CID 10598435
(3aS,6S,6aS)-6-[(1S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 25227816
[(2R,3R)-3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10864313
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane (CID 177480214) is tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane is C=CC[C@@H](O[Si](C)(C)C)[C@H]1O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane?
The InChIKey is MXHPZEXPJKHOHD-KVVRFYPFSA-N. The full InChI is InChI=1S/C28H42O3Si2/c1-9-16-25(31-32(6,7)8)27-26(30-27)22(2)21-29-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,22,25-27H,1,16,21H2,2-8H3/t22-,25+,26+,27+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane?
tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane has a molecular weight of 482.81 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane is sourced from PubChem (CID 177480214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).