bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane

C20H40O4Si — CID 87106644

IUPACbis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane
SMILESC/C=C(/C)OC(C)CC[Si](CCC(C)O/C(C)=C\C)(OCC)OCC
InChIInChI=1S/C20H40O4Si/c1-9-17(5)23-19(7)13-15-25(21-11-3,22-12-4)16-14-20(8)24-18(6)10-2/h9-10,19-20H,11-16H2,1-8H3/b17-9-,18-10-
InChIKeyUOAYPDJSNZIZRI-XFQWXJFMSA-N
MW372.62 g/mol
LogP5.94
Rot. Bonds14

About bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane

bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane (PubChem CID 87106644) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane.

Molecular Properties

Compound Namebis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane
PubChem CID87106644
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namebis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane
SMILESC/C=C(/C)OC(C)CC[Si](CCC(C)O/C(C)=C\C)(OCC)OCC
InChIInChI=1S/C20H40O4Si/c1-9-17(5)23-19(7)13-15-25(21-11-3,22-12-4)16-14-20(8)24-18(6)10-2/h9-10,19-20H,11-16H2,1-8H3/b17-9-,18-10-
InChIKeyUOAYPDJSNZIZRI-XFQWXJFMSA-N
XLogP5.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-but-2-en-2-yloxybutane
CID 54492212
3-[(Z)-but-2-en-2-yl]oxybutan-1-amine;ethane;molecular hydrogen
CID 177319830
[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane
CID 173008314
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
1-[(Z)-but-2-en-2-yl]oxypropyl-trimethoxysilane
CID 141384709
diethoxy-bis(2-methylpentyl)silane
CID 178181643
3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
CID 141113321
decyl-diethoxy-tridecylsilane
CID 139614334
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-hexadecyl-tridecylsilane
CID 139614117

Frequently Asked Questions

What is the IUPAC name of bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane?
The IUPAC name of bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane (CID 87106644) is bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane.
What is the SMILES notation for bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane?
The canonical SMILES for bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane is C/C=C(/C)OC(C)CC[Si](CCC(C)O/C(C)=C\C)(OCC)OCC.
What is the InChIKey of bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane?
The InChIKey is UOAYPDJSNZIZRI-XFQWXJFMSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-17(5)23-19(7)13-15-25(21-11-3,22-12-4)16-14-20(8)24-18(6)10-2/h9-10,19-20H,11-16H2,1-8H3/b17-9-,18-10-.
What are the key properties of bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane?
bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane has a molecular weight of 372.62 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[(Z)-but-2-en-2-yl]oxybutyl]-diethoxysilane is sourced from PubChem (CID 87106644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).