dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane

C8H16Cl2OSi — CID 88674089

IUPACdichloro-(3-methylbut-3-en-2-yloxy)-propylsilane
SMILESC=C(C)C(C)O[Si](Cl)(Cl)CCC
InChIInChI=1S/C8H16Cl2OSi/c1-5-6-12(9,10)11-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyCSHRMVHJNAETKN-UHFFFAOYSA-N
MW227.21 g/mol
LogP3.79
Rot. Bonds5

About dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane

dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane (PubChem CID 88674089) has the molecular formula C8H16Cl2OSi and a molecular weight of 227.21 g/mol. Its IUPAC name is dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane.

Molecular Properties

Compound Namedichloro-(3-methylbut-3-en-2-yloxy)-propylsilane
PubChem CID88674089
Molecular FormulaC8H16Cl2OSi
Molecular Weight227.21 g/mol
Exact Mass226.03
IUPAC Namedichloro-(3-methylbut-3-en-2-yloxy)-propylsilane
SMILESC=C(C)C(C)O[Si](Cl)(Cl)CCC
InChIInChI=1S/C8H16Cl2OSi/c1-5-6-12(9,10)11-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyCSHRMVHJNAETKN-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2S)-3-trichlorosilyloxybut-3-en-2-yl]oxysilane
CID 10544794
Butyl-dichloro-(2-methylprop-2-enoxy)silane
CID 87920812
CID 163406004
CID 163406004
tert-butyl-dimethyl-[(2R)-3-trichlorosilyloxybut-3-en-2-yl]oxysilane
CID 10640561
Trimethyl-(2-methylidene-3-trimethylsilyloxybutyl)silane
CID 10868119
tert-Butyl(dimethyl)[(3-methylbut-3-en-2-yl)oxy]silane
CID 15935934
Diethoxy-methyl-(3-methylbut-3-en-2-yloxy)silane
CID 174507040

Frequently Asked Questions

What is the IUPAC name of dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane?
The IUPAC name of dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane (CID 88674089) is dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane.
What is the SMILES notation for dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane?
The canonical SMILES for dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane is C=C(C)C(C)O[Si](Cl)(Cl)CCC.
What is the InChIKey of dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane?
The InChIKey is CSHRMVHJNAETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2OSi/c1-5-6-12(9,10)11-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane?
dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane has a molecular weight of 227.21 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-methylbut-3-en-2-yloxy)-propylsilane is sourced from PubChem (CID 88674089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).