zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)

C18H34O2Si2Zn — CID 134885362

IUPACzinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)
SMILES[C-]#CCO[Si](C)(C)C(C)(C)C.[C-]#CCO[Si](C)(C)C(C)(C)C.[Zn+2]
InChIInChI=1S/2C9H17OSi.Zn/c2*1-7-8-10-11(5,6)9(2,3)4;/h2*8H2,2-6H3;/q2*-1;+2
InChIKeyKDNDYZJFZBBIMU-UHFFFAOYSA-N
MW404.03 g/mol
LogP5.19
Rot. Bonds4

About zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)

zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane) (PubChem CID 134885362) has the molecular formula C18H34O2Si2Zn and a molecular weight of 404.03 g/mol. Its IUPAC name is zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane).

Molecular Properties

Compound Namezinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)
PubChem CID134885362
Molecular FormulaC18H34O2Si2Zn
Molecular Weight404.03 g/mol
Exact Mass402.14
IUPAC Namezinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)
SMILES[C-]#CCO[Si](C)(C)C(C)(C)C.[C-]#CCO[Si](C)(C)C(C)(C)C.[Zn+2]
InChIInChI=1S/2C9H17OSi.Zn/c2*1-7-8-10-11(5,6)9(2,3)4;/h2*8H2,2-6H3;/q2*-1;+2
InChIKeyKDNDYZJFZBBIMU-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.03
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
2,2,7,7,9,9,14,14-Octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane
CID 87702
Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propynyl]trimethyl-
CID 10988471
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
Tributyl(3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-1-propyn-1-yl)stannane
CID 11812535
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-2-yn-1-yl]oxy}silane
CID 14006074
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynoxy]silane
CID 10884155

Frequently Asked Questions

What is the IUPAC name of zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)?
The IUPAC name of zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane) (CID 134885362) is zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane).
What is the SMILES notation for zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)?
The canonical SMILES for zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane) is [C-]#CCO[Si](C)(C)C(C)(C)C.[C-]#CCO[Si](C)(C)C(C)(C)C.[Zn+2].
What is the InChIKey of zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)?
The InChIKey is KDNDYZJFZBBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17OSi.Zn/c2*1-7-8-10-11(5,6)9(2,3)4;/h2*8H2,2-6H3;/q2*-1;+2.
What are the key properties of zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane)?
zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane) has a molecular weight of 404.03 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(tert-butyl-dimethyl-prop-2-ynoxysilane) is sourced from PubChem (CID 134885362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).