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

C26H56O3Si2 — CID 91720882

IUPACbut-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H56O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(5,6)29-30(3,4)27-25-10-8-2/h8H,2,7,9-26H2,1,3-6H3
InChIKeyVHOOFGXEACLNHJ-UHFFFAOYSA-N
MW472.90 g/mol
LogP9.28
Rot. Bonds24

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

but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane (PubChem CID 91720882) has the molecular formula C26H56O3Si2 and a molecular weight of 472.90 g/mol. Its IUPAC name is but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namebut-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane
PubChem CID91720882
Molecular FormulaC26H56O3Si2
Molecular Weight472.90 g/mol
Exact Mass472.38
IUPAC Namebut-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H56O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(5,6)29-30(3,4)27-25-10-8-2/h8H,2,7,9-26H2,1,3-6H3
InChIKeyVHOOFGXEACLNHJ-UHFFFAOYSA-N
XLogP9.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 59.28
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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Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane?
The IUPAC name of but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane (CID 91720882) is but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane.
What is the SMILES notation for but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane?
The canonical SMILES for but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane is C=CCCO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane?
The InChIKey is VHOOFGXEACLNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si2/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(5,6)29-30(3,4)27-25-10-8-2/h8H,2,7,9-26H2,1,3-6H3.
What are the key properties of but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane?
but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane has a molecular weight of 472.90 g/mol, XLogP of 9.28, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-[dimethyl(octadecoxy)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91720882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).