butyl-chloro-ethoxy-propoxysilane

C9H21ClO2Si — CID 140745078

IUPACbutyl-chloro-ethoxy-propoxysilane
SMILESCCCC[Si](Cl)(OCC)OCCC
InChIInChI=1S/C9H21ClO2Si/c1-4-7-9-13(10,11-6-3)12-8-5-2/h4-9H2,1-3H3
InChIKeyJLGMUAKMKLTQOB-UHFFFAOYSA-N
MW224.80 g/mol
LogP3.43
Rot. Bonds8

About butyl-chloro-ethoxy-propoxysilane

butyl-chloro-ethoxy-propoxysilane (PubChem CID 140745078) has the molecular formula C9H21ClO2Si and a molecular weight of 224.80 g/mol. Its IUPAC name is butyl-chloro-ethoxy-propoxysilane.

Molecular Properties

Compound Namebutyl-chloro-ethoxy-propoxysilane
PubChem CID140745078
Molecular FormulaC9H21ClO2Si
Molecular Weight224.80 g/mol
Exact Mass224.10
IUPAC Namebutyl-chloro-ethoxy-propoxysilane
SMILESCCCC[Si](Cl)(OCC)OCCC
InChIInChI=1S/C9H21ClO2Si/c1-4-7-9-13(10,11-6-3)12-8-5-2/h4-9H2,1-3H3
InChIKeyJLGMUAKMKLTQOB-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro-ethoxy-octyl-propoxysilane
CID 140744864
chloro-dodecyl-dioctoxysilane
CID 154096058
chloro-ethoxy-hexyl-methoxysilane
CID 140745098
3-[chloro(diethoxy)silyl]propyl acetate
CID 87213804
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
butyl-chloro-ethoxy-hexylsilane
CID 140745137
diethoxy-ethyl-propoxysilane
CID 22211908
ethoxy-ethyl-dipropoxysilane
CID 525754
bromo-chloro-octyl-propoxysilane
CID 140744954
butyl-methoxy-dipropoxysilane
CID 18672915
butyl-chloro-phenyl-propoxysilane
CID 140744872
3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335

Frequently Asked Questions

What is the IUPAC name of butyl-chloro-ethoxy-propoxysilane?
The IUPAC name of butyl-chloro-ethoxy-propoxysilane (CID 140745078) is butyl-chloro-ethoxy-propoxysilane.
What is the SMILES notation for butyl-chloro-ethoxy-propoxysilane?
The canonical SMILES for butyl-chloro-ethoxy-propoxysilane is CCCC[Si](Cl)(OCC)OCCC.
What is the InChIKey of butyl-chloro-ethoxy-propoxysilane?
The InChIKey is JLGMUAKMKLTQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO2Si/c1-4-7-9-13(10,11-6-3)12-8-5-2/h4-9H2,1-3H3.
What are the key properties of butyl-chloro-ethoxy-propoxysilane?
butyl-chloro-ethoxy-propoxysilane has a molecular weight of 224.80 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-ethoxy-propoxysilane is sourced from PubChem (CID 140745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).