1,1-dimethoxybut-3-enoxysilane

C6H14O3Si — CID 172998295

IUPAC1,1-dimethoxybut-3-enoxysilane
SMILESC=CCC(OC)(OC)O[SiH3]
InChIInChI=1S/C6H14O3Si/c1-4-5-6(7-2,8-3)9-10/h4H,1,5H2,2-3,10H3
InChIKeyVVLOZFDFYSWGAR-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.19
Rot. Bonds5

About 1,1-dimethoxybut-3-enoxysilane

1,1-dimethoxybut-3-enoxysilane (PubChem CID 172998295) has the molecular formula C6H14O3Si and a molecular weight of 162.26 g/mol. Its IUPAC name is 1,1-dimethoxybut-3-enoxysilane.

Molecular Properties

Compound Name1,1-dimethoxybut-3-enoxysilane
PubChem CID172998295
Molecular FormulaC6H14O3Si
Molecular Weight162.26 g/mol
Exact Mass162.07
IUPAC Name1,1-dimethoxybut-3-enoxysilane
SMILESC=CCC(OC)(OC)O[SiH3]
InChIInChI=1S/C6H14O3Si/c1-4-5-6(7-2,8-3)9-10/h4H,1,5H2,2-3,10H3
InChIKeyVVLOZFDFYSWGAR-UHFFFAOYSA-N
XLogP-0.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1,1-dimethoxybut-3-enoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxybut-3-enoxysilane?
The IUPAC name of 1,1-dimethoxybut-3-enoxysilane (CID 172998295) is 1,1-dimethoxybut-3-enoxysilane.
What is the SMILES notation for 1,1-dimethoxybut-3-enoxysilane?
The canonical SMILES for 1,1-dimethoxybut-3-enoxysilane is C=CCC(OC)(OC)O[SiH3].
What is the InChIKey of 1,1-dimethoxybut-3-enoxysilane?
The InChIKey is VVLOZFDFYSWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3Si/c1-4-5-6(7-2,8-3)9-10/h4H,1,5H2,2-3,10H3.
What are the key properties of 1,1-dimethoxybut-3-enoxysilane?
1,1-dimethoxybut-3-enoxysilane has a molecular weight of 162.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxybut-3-enoxysilane is sourced from PubChem (CID 172998295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).