hydroxy-oxo-pentan-2-yloxysilane

C5H12O3Si — CID 87451687

IUPAChydroxy-oxo-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](=O)O
InChIInChI=1S/C5H12O3Si/c1-3-4-5(2)8-9(6)7/h5-6H,3-4H2,1-2H3
InChIKeySUULXJRZJDCDBB-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.60
Rot. Bonds4

About hydroxy-oxo-pentan-2-yloxysilane

hydroxy-oxo-pentan-2-yloxysilane (PubChem CID 87451687) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is hydroxy-oxo-pentan-2-yloxysilane.

Molecular Properties

Compound Namehydroxy-oxo-pentan-2-yloxysilane
PubChem CID87451687
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namehydroxy-oxo-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](=O)O
InChIInChI=1S/C5H12O3Si/c1-3-4-5(2)8-9(6)7/h5-6H,3-4H2,1-2H3
InChIKeySUULXJRZJDCDBB-UHFFFAOYSA-N
XLogP0.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-pentan-2-yloxysilane?
The IUPAC name of hydroxy-oxo-pentan-2-yloxysilane (CID 87451687) is hydroxy-oxo-pentan-2-yloxysilane.
What is the SMILES notation for hydroxy-oxo-pentan-2-yloxysilane?
The canonical SMILES for hydroxy-oxo-pentan-2-yloxysilane is CCCC(C)O[Si](=O)O.
What is the InChIKey of hydroxy-oxo-pentan-2-yloxysilane?
The InChIKey is SUULXJRZJDCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-3-4-5(2)8-9(6)7/h5-6H,3-4H2,1-2H3.
What are the key properties of hydroxy-oxo-pentan-2-yloxysilane?
hydroxy-oxo-pentan-2-yloxysilane has a molecular weight of 148.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-pentan-2-yloxysilane is sourced from PubChem (CID 87451687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).