4-chlorobutoxysilane

C4H11ClOSi — CID 123468178

IUPAC4-chlorobutoxysilane
SMILES[SiH3]OCCCCCl
InChIInChI=1S/C4H11ClOSi/c5-3-1-2-4-6-7/h1-4H2,7H3
InChIKeyPQEPKIZTVSUDSO-UHFFFAOYSA-N
MW138.67 g/mol
LogP0.30
Rot. Bonds4

About 4-chlorobutoxysilane

4-chlorobutoxysilane (PubChem CID 123468178) has the molecular formula C4H11ClOSi and a molecular weight of 138.67 g/mol. Its IUPAC name is 4-chlorobutoxysilane.

Molecular Properties

Compound Name4-chlorobutoxysilane
PubChem CID123468178
Molecular FormulaC4H11ClOSi
Molecular Weight138.67 g/mol
Exact Mass138.03
IUPAC Name4-chlorobutoxysilane
SMILES[SiH3]OCCCCCl
InChIInChI=1S/C4H11ClOSi/c5-3-1-2-4-6-7/h1-4H2,7H3
InChIKeyPQEPKIZTVSUDSO-UHFFFAOYSA-N
XLogP0.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.67
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutoxysilane?
The IUPAC name of 4-chlorobutoxysilane (CID 123468178) is 4-chlorobutoxysilane.
What is the SMILES notation for 4-chlorobutoxysilane?
The canonical SMILES for 4-chlorobutoxysilane is [SiH3]OCCCCCl.
What is the InChIKey of 4-chlorobutoxysilane?
The InChIKey is PQEPKIZTVSUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClOSi/c5-3-1-2-4-6-7/h1-4H2,7H3.
What are the key properties of 4-chlorobutoxysilane?
4-chlorobutoxysilane has a molecular weight of 138.67 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxysilane is sourced from PubChem (CID 123468178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).