but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane

C21H46O3Si2 — CID 91742954

IUPACbut-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C21H46O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-21-23-26(5,6)24-25(3,4)22-20-10-8-2/h8H,2,7,9-21H2,1,3-6H3
InChIKeyCZRLFKIKSRYUAD-UHFFFAOYSA-N
MW402.77 g/mol
LogP7.33
Rot. Bonds19

About but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane

but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane (PubChem CID 91742954) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namebut-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane
PubChem CID91742954
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Namebut-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C21H46O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-21-23-26(5,6)24-25(3,4)22-20-10-8-2/h8H,2,7,9-21H2,1,3-6H3
InChIKeyCZRLFKIKSRYUAD-UHFFFAOYSA-N
XLogP7.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

but-3-enoxy-[dimethyl(octoxy)silyl]oxy-dimethylsilane
CID 91739433
but-3-enoxy-dimethyl-nonoxysilane
CID 91736688
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
butoxy-[[[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 175748936
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane?
The IUPAC name of but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane (CID 91742954) is but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane.
What is the SMILES notation for but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane?
The canonical SMILES for but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane is C=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCC.
What is the InChIKey of but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane?
The InChIKey is CZRLFKIKSRYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-21-23-26(5,6)24-25(3,4)22-20-10-8-2/h8H,2,7,9-21H2,1,3-6H3.
What are the key properties of but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane?
but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.33, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-[dimethyl(tridecoxy)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91742954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).