3-methylbut-3-enoxy-diphenyl-propoxysilane

C20H26O2Si — CID 91737770

IUPAC3-methylbut-3-enoxy-diphenyl-propoxysilane
SMILESC=C(C)CCO[Si](OCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-4-16-21-23(22-17-15-18(2)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,2,4,15-17H2,1,3H3
InChIKeyMMIUNUOMBDYFBR-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.65
Rot. Bonds9

About 3-methylbut-3-enoxy-diphenyl-propoxysilane

3-methylbut-3-enoxy-diphenyl-propoxysilane (PubChem CID 91737770) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 3-methylbut-3-enoxy-diphenyl-propoxysilane.

Molecular Properties

Compound Name3-methylbut-3-enoxy-diphenyl-propoxysilane
PubChem CID91737770
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name3-methylbut-3-enoxy-diphenyl-propoxysilane
SMILESC=C(C)CCO[Si](OCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-4-16-21-23(22-17-15-18(2)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,2,4,15-17H2,1,3H3
InChIKeyMMIUNUOMBDYFBR-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldimethoxysilane
CID 81284
Phenyltriethoxysilane
CID 13075
Ethoxydimethylphenylsilane
CID 15770
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Ethoxymethyldiphenylsilane
CID 74576
Methoxytriphenylsilane
CID 74588
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Trisiloxane, 1,5-diethenyl-1,1,5,5-tetramethyl-3,3-diphenyl-
CID 87707
Diphenyl[2-(triethoxysilyl)ethyl]phosphine
CID 87708

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-enoxy-diphenyl-propoxysilane?
The IUPAC name of 3-methylbut-3-enoxy-diphenyl-propoxysilane (CID 91737770) is 3-methylbut-3-enoxy-diphenyl-propoxysilane.
What is the SMILES notation for 3-methylbut-3-enoxy-diphenyl-propoxysilane?
The canonical SMILES for 3-methylbut-3-enoxy-diphenyl-propoxysilane is C=C(C)CCO[Si](OCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylbut-3-enoxy-diphenyl-propoxysilane?
The InChIKey is MMIUNUOMBDYFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-4-16-21-23(22-17-15-18(2)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,2,4,15-17H2,1,3H3.
What are the key properties of 3-methylbut-3-enoxy-diphenyl-propoxysilane?
3-methylbut-3-enoxy-diphenyl-propoxysilane has a molecular weight of 326.51 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enoxy-diphenyl-propoxysilane is sourced from PubChem (CID 91737770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).