butoxy-(3-methylbut-3-enoxy)-diphenylsilane

C21H28O2Si — CID 91738920

IUPACbutoxy-(3-methylbut-3-enoxy)-diphenylsilane
SMILESC=C(C)CCO[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-5-17-22-24(23-18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15H,2,4-5,16-18H2,1,3H3
InChIKeyROMIOISWFJXUMU-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.04
Rot. Bonds10

About butoxy-(3-methylbut-3-enoxy)-diphenylsilane

butoxy-(3-methylbut-3-enoxy)-diphenylsilane (PubChem CID 91738920) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is butoxy-(3-methylbut-3-enoxy)-diphenylsilane.

Molecular Properties

Compound Namebutoxy-(3-methylbut-3-enoxy)-diphenylsilane
PubChem CID91738920
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Namebutoxy-(3-methylbut-3-enoxy)-diphenylsilane
SMILESC=C(C)CCO[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-5-17-22-24(23-18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15H,2,4-5,16-18H2,1,3H3
InChIKeyROMIOISWFJXUMU-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxy-(3-methylbut-3-enoxy)-diphenylsilane?
The IUPAC name of butoxy-(3-methylbut-3-enoxy)-diphenylsilane (CID 91738920) is butoxy-(3-methylbut-3-enoxy)-diphenylsilane.
What is the SMILES notation for butoxy-(3-methylbut-3-enoxy)-diphenylsilane?
The canonical SMILES for butoxy-(3-methylbut-3-enoxy)-diphenylsilane is C=C(C)CCO[Si](OCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-(3-methylbut-3-enoxy)-diphenylsilane?
The InChIKey is ROMIOISWFJXUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-4-5-17-22-24(23-18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15H,2,4-5,16-18H2,1,3H3.
What are the key properties of butoxy-(3-methylbut-3-enoxy)-diphenylsilane?
butoxy-(3-methylbut-3-enoxy)-diphenylsilane has a molecular weight of 340.54 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(3-methylbut-3-enoxy)-diphenylsilane is sourced from PubChem (CID 91738920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).