zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)

C26H54O2Si2Zn — CID 10256112

IUPACzinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)
SMILES[CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[Zn+2]
InChIInChI=1S/2C13H27OSi.Zn/c2*1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;/h2*9-13H,1,8H2,2-7H3;/q2*-1;+2/b2*10-9+;
InChIKeyKZKDDEDZARMCSU-JGMJEEPBSA-N
MW520.28 g/mol
LogP9.83
Rot. Bonds12

About zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)

zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane) (PubChem CID 10256112) has the molecular formula C26H54O2Si2Zn and a molecular weight of 520.28 g/mol. Its IUPAC name is zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane).

Molecular Properties

Compound Namezinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)
PubChem CID10256112
Molecular FormulaC26H54O2Si2Zn
Molecular Weight520.28 g/mol
Exact Mass518.30
IUPAC Namezinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)
SMILES[CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[Zn+2]
InChIInChI=1S/2C13H27OSi.Zn/c2*1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;/h2*9-13H,1,8H2,2-7H3;/q2*-1;+2/b2*10-9+;
InChIKeyKZKDDEDZARMCSU-JGMJEEPBSA-N
XLogP9.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.28
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)?
The IUPAC name of zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane) (CID 10256112) is zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane).
What is the SMILES notation for zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)?
The canonical SMILES for zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane) is [CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[CH2-]C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.[Zn+2].
What is the InChIKey of zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)?
The InChIKey is KZKDDEDZARMCSU-JGMJEEPBSA-N. The full InChI is InChI=1S/2C13H27OSi.Zn/c2*1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;/h2*9-13H,1,8H2,2-7H3;/q2*-1;+2/b2*10-9+;.
What are the key properties of zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane)?
zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane) has a molecular weight of 520.28 g/mol, XLogP of 9.83, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis([(E)-but-1-enoxy]-tri(propan-2-yl)silane) is sourced from PubChem (CID 10256112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).