pentan-3-yloxysilane

C5H14OSi — CID 123978270

IUPACpentan-3-yloxysilane
SMILESCCC(CC)O[SiH3]
InChIInChI=1S/C5H14OSi/c1-3-5(4-2)6-7/h5H,3-4H2,1-2,7H3
InChIKeyVPBDWOREXFGDIM-UHFFFAOYSA-N
MW118.25 g/mol
LogP0.47
Rot. Bonds3

About pentan-3-yloxysilane

pentan-3-yloxysilane (PubChem CID 123978270) has the molecular formula C5H14OSi and a molecular weight of 118.25 g/mol. Its IUPAC name is pentan-3-yloxysilane.

Molecular Properties

Compound Namepentan-3-yloxysilane
PubChem CID123978270
Molecular FormulaC5H14OSi
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Namepentan-3-yloxysilane
SMILESCCC(CC)O[SiH3]
InChIInChI=1S/C5H14OSi/c1-3-5(4-2)6-7/h5H,3-4H2,1-2,7H3
InChIKeyVPBDWOREXFGDIM-UHFFFAOYSA-N
XLogP0.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 pentan-3-yloxysilane?
The IUPAC name of pentan-3-yloxysilane (CID 123978270) is pentan-3-yloxysilane.
What is the SMILES notation for pentan-3-yloxysilane?
The canonical SMILES for pentan-3-yloxysilane is CCC(CC)O[SiH3].
What is the InChIKey of pentan-3-yloxysilane?
The InChIKey is VPBDWOREXFGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSi/c1-3-5(4-2)6-7/h5H,3-4H2,1-2,7H3.
What are the key properties of pentan-3-yloxysilane?
pentan-3-yloxysilane has a molecular weight of 118.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yloxysilane is sourced from PubChem (CID 123978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).