4,4-dimethoxybut-2-enyl(methyl)silane

C7H16O2Si — CID 123973617

IUPAC4,4-dimethoxybut-2-enyl(methyl)silane
SMILESCOC(C=CC[SiH2]C)OC
InChIInChI=1S/C7H16O2Si/c1-8-7(9-2)5-4-6-10-3/h4-5,7H,6,10H2,1-3H3
InChIKeyUKYRDCIREXXKEQ-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.80
Rot. Bonds5

About 4,4-dimethoxybut-2-enyl(methyl)silane

4,4-dimethoxybut-2-enyl(methyl)silane (PubChem CID 123973617) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 4,4-dimethoxybut-2-enyl(methyl)silane.

Molecular Properties

Compound Name4,4-dimethoxybut-2-enyl(methyl)silane
PubChem CID123973617
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Name4,4-dimethoxybut-2-enyl(methyl)silane
SMILESCOC(C=CC[SiH2]C)OC
InChIInChI=1S/C7H16O2Si/c1-8-7(9-2)5-4-6-10-3/h4-5,7H,6,10H2,1-3H3
InChIKeyUKYRDCIREXXKEQ-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.80
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 4,4-dimethoxybut-2-enyl(methyl)silane?
The IUPAC name of 4,4-dimethoxybut-2-enyl(methyl)silane (CID 123973617) is 4,4-dimethoxybut-2-enyl(methyl)silane.
What is the SMILES notation for 4,4-dimethoxybut-2-enyl(methyl)silane?
The canonical SMILES for 4,4-dimethoxybut-2-enyl(methyl)silane is COC(C=CC[SiH2]C)OC.
What is the InChIKey of 4,4-dimethoxybut-2-enyl(methyl)silane?
The InChIKey is UKYRDCIREXXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-8-7(9-2)5-4-6-10-3/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 4,4-dimethoxybut-2-enyl(methyl)silane?
4,4-dimethoxybut-2-enyl(methyl)silane has a molecular weight of 160.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxybut-2-enyl(methyl)silane is sourced from PubChem (CID 123973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).