dimethoxy-(3-methylbut-2-enoxy)-phenylsilane

C13H20O3Si — CID 131745195

IUPACdimethoxy-(3-methylbut-2-enoxy)-phenylsilane
SMILESCO[Si](OC)(OCC=C(C)C)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(2)10-11-16-17(14-3,15-4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKeyHINDCEYLAYYFDE-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.11
Rot. Bonds6

About dimethoxy-(3-methylbut-2-enoxy)-phenylsilane

dimethoxy-(3-methylbut-2-enoxy)-phenylsilane (PubChem CID 131745195) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is dimethoxy-(3-methylbut-2-enoxy)-phenylsilane.

Molecular Properties

Compound Namedimethoxy-(3-methylbut-2-enoxy)-phenylsilane
PubChem CID131745195
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namedimethoxy-(3-methylbut-2-enoxy)-phenylsilane
SMILESCO[Si](OC)(OCC=C(C)C)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(2)10-11-16-17(14-3,15-4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKeyHINDCEYLAYYFDE-UHFFFAOYSA-N
XLogP2.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-(3-methylbut-2-enoxy)-phenylsilane?
The IUPAC name of dimethoxy-(3-methylbut-2-enoxy)-phenylsilane (CID 131745195) is dimethoxy-(3-methylbut-2-enoxy)-phenylsilane.
What is the SMILES notation for dimethoxy-(3-methylbut-2-enoxy)-phenylsilane?
The canonical SMILES for dimethoxy-(3-methylbut-2-enoxy)-phenylsilane is CO[Si](OC)(OCC=C(C)C)c1ccccc1.
What is the InChIKey of dimethoxy-(3-methylbut-2-enoxy)-phenylsilane?
The InChIKey is HINDCEYLAYYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-12(2)10-11-16-17(14-3,15-4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3.
What are the key properties of dimethoxy-(3-methylbut-2-enoxy)-phenylsilane?
dimethoxy-(3-methylbut-2-enoxy)-phenylsilane has a molecular weight of 252.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(3-methylbut-2-enoxy)-phenylsilane is sourced from PubChem (CID 131745195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).