tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane

C24H32O2Si — CID 11749339

IUPACtert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
SMILESC=CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=C
InChIInChI=1S/C24H32O2Si/c1-7-20(3)23(25-8-2)19-26-27(24(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h7-18,20,23H,1-2,19H2,3-6H3/t20-,23-/m0/s1
InChIKeyWNJVZHAOZWHXGJ-REWPJTCUSA-N
MW380.60 g/mol
LogP4.91
Rot. Bonds9

About tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane

tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane (PubChem CID 11749339) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
PubChem CID11749339
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Nametert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
SMILESC=CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=C
InChIInChI=1S/C24H32O2Si/c1-7-20(3)23(25-8-2)19-26-27(24(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h7-18,20,23H,1-2,19H2,3-6H3/t20-,23-/m0/s1
InChIKeyWNJVZHAOZWHXGJ-REWPJTCUSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 101378992
octasodium;bis((2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate)
CID 159440773
(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinic acid
CID 145359346
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane (CID 11749339) is tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane is C=CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane?
The InChIKey is WNJVZHAOZWHXGJ-REWPJTCUSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-7-20(3)23(25-8-2)19-26-27(24(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h7-18,20,23H,1-2,19H2,3-6H3/t20-,23-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane?
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane has a molecular weight of 380.60 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 11749339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).