octan-4-yloxysilane

C8H20OSi — CID 123165561

IUPACoctan-4-yloxysilane
SMILESCCCCC(CCC)O[SiH3]
InChIInChI=1S/C8H20OSi/c1-3-5-7-8(9-10)6-4-2/h8H,3-7H2,1-2,10H3
InChIKeyXTSQTNAQUIGFRP-UHFFFAOYSA-N
MW160.33 g/mol
LogP1.64
Rot. Bonds6

About octan-4-yloxysilane

octan-4-yloxysilane (PubChem CID 123165561) has the molecular formula C8H20OSi and a molecular weight of 160.33 g/mol. Its IUPAC name is octan-4-yloxysilane.

Molecular Properties

Compound Nameoctan-4-yloxysilane
PubChem CID123165561
Molecular FormulaC8H20OSi
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Nameoctan-4-yloxysilane
SMILESCCCCC(CCC)O[SiH3]
InChIInChI=1S/C8H20OSi/c1-3-5-7-8(9-10)6-4-2/h8H,3-7H2,1-2,10H3
InChIKeyXTSQTNAQUIGFRP-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 51.64
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 octan-4-yloxysilane?
The IUPAC name of octan-4-yloxysilane (CID 123165561) is octan-4-yloxysilane.
What is the SMILES notation for octan-4-yloxysilane?
The canonical SMILES for octan-4-yloxysilane is CCCCC(CCC)O[SiH3].
What is the InChIKey of octan-4-yloxysilane?
The InChIKey is XTSQTNAQUIGFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OSi/c1-3-5-7-8(9-10)6-4-2/h8H,3-7H2,1-2,10H3.
What are the key properties of octan-4-yloxysilane?
octan-4-yloxysilane has a molecular weight of 160.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-4-yloxysilane is sourced from PubChem (CID 123165561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).