zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane

C14H24OSiZn — CID 139256877

IUPACzinc;tert-butyl-dimethyl-(phenoxy)silane;ethane
SMILESCC(C)(C)[Si](C)(C)Oc1cc[c-]cc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C12H19OSi.C2H5.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;1-2;/h7-10H,1-5H3;1H2,2H3;/q2*-1;+2
InChIKeyZQTGXHMMTAOFHQ-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.71
Rot. Bonds2

About zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane

zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane (PubChem CID 139256877) has the molecular formula C14H24OSiZn and a molecular weight of 301.82 g/mol. Its IUPAC name is zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane.

Molecular Properties

Compound Namezinc;tert-butyl-dimethyl-(phenoxy)silane;ethane
PubChem CID139256877
Molecular FormulaC14H24OSiZn
Molecular Weight301.82 g/mol
Exact Mass300.09
IUPAC Namezinc;tert-butyl-dimethyl-(phenoxy)silane;ethane
SMILESCC(C)(C)[Si](C)(C)Oc1cc[c-]cc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C12H19OSi.C2H5.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;1-2;/h7-10H,1-5H3;1H2,2H3;/q2*-1;+2
InChIKeyZQTGXHMMTAOFHQ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.71
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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Frequently Asked Questions

What is the IUPAC name of zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane?
The IUPAC name of zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane (CID 139256877) is zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane.
What is the SMILES notation for zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane?
The canonical SMILES for zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane is CC(C)(C)[Si](C)(C)Oc1cc[c-]cc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane?
The InChIKey is ZQTGXHMMTAOFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OSi.C2H5.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;1-2;/h7-10H,1-5H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane?
zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane has a molecular weight of 301.82 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tert-butyl-dimethyl-(phenoxy)silane;ethane is sourced from PubChem (CID 139256877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).