3-hydroperoxybut-3-enyl-dimethoxy-methylsilane

C7H16O4Si — CID 20662878

IUPAC3-hydroperoxybut-3-enyl-dimethoxy-methylsilane
SMILESC=C(CC[Si](C)(OC)OC)OO
InChIInChI=1S/C7H16O4Si/c1-7(11-8)5-6-12(4,9-2)10-3/h8H,1,5-6H2,2-4H3
InChIKeyGWJINGZFXBJMFZ-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.74
Rot. Bonds6

About 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane

3-hydroperoxybut-3-enyl-dimethoxy-methylsilane (PubChem CID 20662878) has the molecular formula C7H16O4Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-hydroperoxybut-3-enyl-dimethoxy-methylsilane
PubChem CID20662878
Molecular FormulaC7H16O4Si
Molecular Weight192.29 g/mol
Exact Mass192.08
IUPAC Name3-hydroperoxybut-3-enyl-dimethoxy-methylsilane
SMILESC=C(CC[Si](C)(OC)OC)OO
InChIInChI=1S/C7H16O4Si/c1-7(11-8)5-6-12(4,9-2)10-3/h8H,1,5-6H2,2-4H3
InChIKeyGWJINGZFXBJMFZ-UHFFFAOYSA-N
XLogP1.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane 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 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane?
The IUPAC name of 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane (CID 20662878) is 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane?
The canonical SMILES for 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane is C=C(CC[Si](C)(OC)OC)OO.
What is the InChIKey of 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane?
The InChIKey is GWJINGZFXBJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4Si/c1-7(11-8)5-6-12(4,9-2)10-3/h8H,1,5-6H2,2-4H3.
What are the key properties of 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane?
3-hydroperoxybut-3-enyl-dimethoxy-methylsilane has a molecular weight of 192.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxybut-3-enyl-dimethoxy-methylsilane is sourced from PubChem (CID 20662878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).