1-ethoxybuta-1,2-dienoxy(trimethyl)silane

C9H18O2Si — CID 12736083

IUPAC1-ethoxybuta-1,2-dienoxy(trimethyl)silane
SMILESCC=C=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-8-9(10-7-2)11-12(3,4)5/h6H,7H2,1-5H3
InChIKeySPGZDHILKRGYAO-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.89
Rot. Bonds4

About 1-ethoxybuta-1,2-dienoxy(trimethyl)silane

1-ethoxybuta-1,2-dienoxy(trimethyl)silane (PubChem CID 12736083) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-ethoxybuta-1,2-dienoxy(trimethyl)silane.

Molecular Properties

Compound Name1-ethoxybuta-1,2-dienoxy(trimethyl)silane
PubChem CID12736083
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-ethoxybuta-1,2-dienoxy(trimethyl)silane
SMILESCC=C=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-8-9(10-7-2)11-12(3,4)5/h6H,7H2,1-5H3
InChIKeySPGZDHILKRGYAO-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxybuta-1,2-dienoxy(trimethyl)silane?
The IUPAC name of 1-ethoxybuta-1,2-dienoxy(trimethyl)silane (CID 12736083) is 1-ethoxybuta-1,2-dienoxy(trimethyl)silane.
What is the SMILES notation for 1-ethoxybuta-1,2-dienoxy(trimethyl)silane?
The canonical SMILES for 1-ethoxybuta-1,2-dienoxy(trimethyl)silane is CC=C=C(OCC)O[Si](C)(C)C.
What is the InChIKey of 1-ethoxybuta-1,2-dienoxy(trimethyl)silane?
The InChIKey is SPGZDHILKRGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-6-8-9(10-7-2)11-12(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 1-ethoxybuta-1,2-dienoxy(trimethyl)silane?
1-ethoxybuta-1,2-dienoxy(trimethyl)silane has a molecular weight of 186.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybuta-1,2-dienoxy(trimethyl)silane is sourced from PubChem (CID 12736083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).