1,1-diethoxybut-3-en-2-ylsilane

C8H18O2Si — CID 173204911

IUPAC1,1-diethoxybut-3-en-2-ylsilane
SMILESC=CC([SiH3])C(OCC)OCC
InChIInChI=1S/C8H18O2Si/c1-4-7(11)8(9-5-2)10-6-3/h4,7-8H,1,5-6H2,2-3,11H3
InChIKeyAHMORBLBVCPFFG-UHFFFAOYSA-N
MW174.32 g/mol
LogP0.73
Rot. Bonds6

About 1,1-diethoxybut-3-en-2-ylsilane

1,1-diethoxybut-3-en-2-ylsilane (PubChem CID 173204911) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 1,1-diethoxybut-3-en-2-ylsilane.

Molecular Properties

Compound Name1,1-diethoxybut-3-en-2-ylsilane
PubChem CID173204911
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name1,1-diethoxybut-3-en-2-ylsilane
SMILESC=CC([SiH3])C(OCC)OCC
InChIInChI=1S/C8H18O2Si/c1-4-7(11)8(9-5-2)10-6-3/h4,7-8H,1,5-6H2,2-3,11H3
InChIKeyAHMORBLBVCPFFG-UHFFFAOYSA-N
XLogP0.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 50.73
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 1,1-diethoxybut-3-en-2-ylsilane?
The IUPAC name of 1,1-diethoxybut-3-en-2-ylsilane (CID 173204911) is 1,1-diethoxybut-3-en-2-ylsilane.
What is the SMILES notation for 1,1-diethoxybut-3-en-2-ylsilane?
The canonical SMILES for 1,1-diethoxybut-3-en-2-ylsilane is C=CC([SiH3])C(OCC)OCC.
What is the InChIKey of 1,1-diethoxybut-3-en-2-ylsilane?
The InChIKey is AHMORBLBVCPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-4-7(11)8(9-5-2)10-6-3/h4,7-8H,1,5-6H2,2-3,11H3.
What are the key properties of 1,1-diethoxybut-3-en-2-ylsilane?
1,1-diethoxybut-3-en-2-ylsilane has a molecular weight of 174.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxybut-3-en-2-ylsilane is sourced from PubChem (CID 173204911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).