4-chlorobutoxy(silyl)silane

C4H13ClOSi2 — CID 175538208

IUPAC4-chlorobutoxy(silyl)silane
SMILES[SiH3][SiH2]OCCCCCl
InChIInChI=1S/C4H13ClOSi2/c5-3-1-2-4-6-8-7/h1-4,8H2,7H3
InChIKeyYQFHAPJUEDTSGZ-UHFFFAOYSA-N
MW168.77 g/mol
LogP-0.61
Rot. Bonds5

About 4-chlorobutoxy(silyl)silane

4-chlorobutoxy(silyl)silane (PubChem CID 175538208) has the molecular formula C4H13ClOSi2 and a molecular weight of 168.77 g/mol. Its IUPAC name is 4-chlorobutoxy(silyl)silane.

Molecular Properties

Compound Name4-chlorobutoxy(silyl)silane
PubChem CID175538208
Molecular FormulaC4H13ClOSi2
Molecular Weight168.77 g/mol
Exact Mass168.02
IUPAC Name4-chlorobutoxy(silyl)silane
SMILES[SiH3][SiH2]OCCCCCl
InChIInChI=1S/C4H13ClOSi2/c5-3-1-2-4-6-8-7/h1-4,8H2,7H3
InChIKeyYQFHAPJUEDTSGZ-UHFFFAOYSA-N
XLogP-0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.77
LogP ≤ 5-0.61
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-chlorobutoxy(silyl)silane?
The IUPAC name of 4-chlorobutoxy(silyl)silane (CID 175538208) is 4-chlorobutoxy(silyl)silane.
What is the SMILES notation for 4-chlorobutoxy(silyl)silane?
The canonical SMILES for 4-chlorobutoxy(silyl)silane is [SiH3][SiH2]OCCCCCl.
What is the InChIKey of 4-chlorobutoxy(silyl)silane?
The InChIKey is YQFHAPJUEDTSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13ClOSi2/c5-3-1-2-4-6-8-7/h1-4,8H2,7H3.
What are the key properties of 4-chlorobutoxy(silyl)silane?
4-chlorobutoxy(silyl)silane has a molecular weight of 168.77 g/mol, XLogP of -0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxy(silyl)silane is sourced from PubChem (CID 175538208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).