butan-2-yloxy-oxo-propan-2-yloxysilane

C7H16O3Si — CID 20836581

IUPACbutan-2-yloxy-oxo-propan-2-yloxysilane
SMILESCCC(C)O[Si](=O)OC(C)C
InChIInChI=1S/C7H16O3Si/c1-5-7(4)10-11(8)9-6(2)3/h6-7H,5H2,1-4H3
InChIKeyPLZDUNDWPPIGCR-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.64
Rot. Bonds5

About butan-2-yloxy-oxo-propan-2-yloxysilane

butan-2-yloxy-oxo-propan-2-yloxysilane (PubChem CID 20836581) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is butan-2-yloxy-oxo-propan-2-yloxysilane.

Molecular Properties

Compound Namebutan-2-yloxy-oxo-propan-2-yloxysilane
PubChem CID20836581
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Namebutan-2-yloxy-oxo-propan-2-yloxysilane
SMILESCCC(C)O[Si](=O)OC(C)C
InChIInChI=1S/C7H16O3Si/c1-5-7(4)10-11(8)9-6(2)3/h6-7H,5H2,1-4H3
InChIKeyPLZDUNDWPPIGCR-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze butan-2-yloxy-oxo-propan-2-yloxysilane 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 butan-2-yloxy-oxo-propan-2-yloxysilane?
The IUPAC name of butan-2-yloxy-oxo-propan-2-yloxysilane (CID 20836581) is butan-2-yloxy-oxo-propan-2-yloxysilane.
What is the SMILES notation for butan-2-yloxy-oxo-propan-2-yloxysilane?
The canonical SMILES for butan-2-yloxy-oxo-propan-2-yloxysilane is CCC(C)O[Si](=O)OC(C)C.
What is the InChIKey of butan-2-yloxy-oxo-propan-2-yloxysilane?
The InChIKey is PLZDUNDWPPIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-5-7(4)10-11(8)9-6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of butan-2-yloxy-oxo-propan-2-yloxysilane?
butan-2-yloxy-oxo-propan-2-yloxysilane has a molecular weight of 176.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-oxo-propan-2-yloxysilane is sourced from PubChem (CID 20836581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).