ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane

C13H28O2Si — CID 57217976

IUPACethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane
SMILESCC=C(CC)C(OCCC)O[Si](C)(C)CC
InChIInChI=1S/C13H28O2Si/c1-7-11-14-13(12(8-2)9-3)15-16(5,6)10-4/h8,13H,7,9-11H2,1-6H3
InChIKeyLQLAYQVLOQBDET-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.34
Rot. Bonds8

About ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane

ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane (PubChem CID 57217976) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane.

Molecular Properties

Compound Nameethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane
PubChem CID57217976
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nameethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane
SMILESCC=C(CC)C(OCCC)O[Si](C)(C)CC
InChIInChI=1S/C13H28O2Si/c1-7-11-14-13(12(8-2)9-3)15-16(5,6)10-4/h8,13H,7,9-11H2,1-6H3
InChIKeyLQLAYQVLOQBDET-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane?
The IUPAC name of ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane (CID 57217976) is ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane.
What is the SMILES notation for ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane?
The canonical SMILES for ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane is CC=C(CC)C(OCCC)O[Si](C)(C)CC.
What is the InChIKey of ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane?
The InChIKey is LQLAYQVLOQBDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-11-14-13(12(8-2)9-3)15-16(5,6)10-4/h8,13H,7,9-11H2,1-6H3.
What are the key properties of ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane?
ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane is sourced from PubChem (CID 57217976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).