but-1-ene;trimethoxysilane

C7H18O3Si — CID 162022508

IUPACbut-1-ene;trimethoxysilane
SMILESC=CCC.CO[SiH](OC)OC
InChIInChI=1S/C4H8.C3H10O3Si/c1-3-4-2;1-4-7(5-2)6-3/h3H,1,4H2,2H3;7H,1-3H3
InChIKeyYUXVZADXUPUJEJ-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.23
Rot. Bonds4

About but-1-ene;trimethoxysilane

but-1-ene;trimethoxysilane (PubChem CID 162022508) has the molecular formula C7H18O3Si and a molecular weight of 178.30 g/mol. Its IUPAC name is but-1-ene;trimethoxysilane.

Molecular Properties

Compound Namebut-1-ene;trimethoxysilane
PubChem CID162022508
Molecular FormulaC7H18O3Si
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Namebut-1-ene;trimethoxysilane
SMILESC=CCC.CO[SiH](OC)OC
InChIInChI=1S/C4H8.C3H10O3Si/c1-3-4-2;1-4-7(5-2)6-3/h3H,1,4H2,2H3;7H,1-3H3
InChIKeyYUXVZADXUPUJEJ-UHFFFAOYSA-N
XLogP1.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-1-ene;trimethoxysilane?
The IUPAC name of but-1-ene;trimethoxysilane (CID 162022508) is but-1-ene;trimethoxysilane.
What is the SMILES notation for but-1-ene;trimethoxysilane?
The canonical SMILES for but-1-ene;trimethoxysilane is C=CCC.CO[SiH](OC)OC.
What is the InChIKey of but-1-ene;trimethoxysilane?
The InChIKey is YUXVZADXUPUJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H10O3Si/c1-3-4-2;1-4-7(5-2)6-3/h3H,1,4H2,2H3;7H,1-3H3.
What are the key properties of but-1-ene;trimethoxysilane?
but-1-ene;trimethoxysilane has a molecular weight of 178.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;trimethoxysilane is sourced from PubChem (CID 162022508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).