zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide

C23H32OSiZn — CID 134886876

IUPACzinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
SMILESC/[C-]=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[CH3-].[Zn+2]
InChIInChI=1S/C22H29OSi.CH3.Zn/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7-17,19H,18H2,1-5H3;1H3;/q2*-1;+2/t19-;;/m0../s1
InChIKeyQNHWSPQLXSLOJS-TXEPZDRESA-N
MW417.98 g/mol
LogP5.03
Rot. Bonds6

About zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide

zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide (PubChem CID 134886876) has the molecular formula C23H32OSiZn and a molecular weight of 417.98 g/mol. Its IUPAC name is zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide.

Molecular Properties

Compound Namezinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
PubChem CID134886876
Molecular FormulaC23H32OSiZn
Molecular Weight417.98 g/mol
Exact Mass416.15
IUPAC Namezinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
SMILESC/[C-]=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[CH3-].[Zn+2]
InChIInChI=1S/C22H29OSi.CH3.Zn/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7-17,19H,18H2,1-5H3;1H3;/q2*-1;+2/t19-;;/m0../s1
InChIKeyQNHWSPQLXSLOJS-TXEPZDRESA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;ethane
CID 134886533
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
CID 11374218
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153

Frequently Asked Questions

What is the IUPAC name of zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide?
The IUPAC name of zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide (CID 134886876) is zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide.
What is the SMILES notation for zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide?
The canonical SMILES for zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide is C/[C-]=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[CH3-].[Zn+2].
What is the InChIKey of zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide?
The InChIKey is QNHWSPQLXSLOJS-TXEPZDRESA-N. The full InChI is InChI=1S/C22H29OSi.CH3.Zn/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7-17,19H,18H2,1-5H3;1H3;/q2*-1;+2/t19-;;/m0../s1.
What are the key properties of zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide?
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide has a molecular weight of 417.98 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide is sourced from PubChem (CID 134886876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).