oxo-di(pentan-2-yloxy)silane

C10H22O3Si — CID 87451686

IUPACoxo-di(pentan-2-yloxy)silane
SMILESCCCC(C)O[Si](=O)OC(C)CCC
InChIInChI=1S/C10H22O3Si/c1-5-7-9(3)12-14(11)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyDNYJMZHSXREOBQ-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.81
Rot. Bonds8

About oxo-di(pentan-2-yloxy)silane

oxo-di(pentan-2-yloxy)silane (PubChem CID 87451686) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is oxo-di(pentan-2-yloxy)silane.

Molecular Properties

Compound Nameoxo-di(pentan-2-yloxy)silane
PubChem CID87451686
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Nameoxo-di(pentan-2-yloxy)silane
SMILESCCCC(C)O[Si](=O)OC(C)CCC
InChIInChI=1S/C10H22O3Si/c1-5-7-9(3)12-14(11)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyDNYJMZHSXREOBQ-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 oxo-di(pentan-2-yloxy)silane?
The IUPAC name of oxo-di(pentan-2-yloxy)silane (CID 87451686) is oxo-di(pentan-2-yloxy)silane.
What is the SMILES notation for oxo-di(pentan-2-yloxy)silane?
The canonical SMILES for oxo-di(pentan-2-yloxy)silane is CCCC(C)O[Si](=O)OC(C)CCC.
What is the InChIKey of oxo-di(pentan-2-yloxy)silane?
The InChIKey is DNYJMZHSXREOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-7-9(3)12-14(11)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of oxo-di(pentan-2-yloxy)silane?
oxo-di(pentan-2-yloxy)silane has a molecular weight of 218.37 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(pentan-2-yloxy)silane is sourced from PubChem (CID 87451686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).