4-chlorobutyl-ethyl-dipropoxysilane

C12H27ClO2Si — CID 142729339

IUPAC4-chlorobutyl-ethyl-dipropoxysilane
SMILESCCCO[Si](CC)(CCCCCl)OCCC
InChIInChI=1S/C12H27ClO2Si/c1-4-10-14-16(6-3,15-11-5-2)12-8-7-9-13/h4-12H2,1-3H3
InChIKeyCBVXWRRIFXXNPI-UHFFFAOYSA-N
MW266.88 g/mol
LogP4.32
Rot. Bonds11

About 4-chlorobutyl-ethyl-dipropoxysilane

4-chlorobutyl-ethyl-dipropoxysilane (PubChem CID 142729339) has the molecular formula C12H27ClO2Si and a molecular weight of 266.88 g/mol. Its IUPAC name is 4-chlorobutyl-ethyl-dipropoxysilane.

Molecular Properties

Compound Name4-chlorobutyl-ethyl-dipropoxysilane
PubChem CID142729339
Molecular FormulaC12H27ClO2Si
Molecular Weight266.88 g/mol
Exact Mass266.15
IUPAC Name4-chlorobutyl-ethyl-dipropoxysilane
SMILESCCCO[Si](CC)(CCCCCl)OCCC
InChIInChI=1S/C12H27ClO2Si/c1-4-10-14-16(6-3,15-11-5-2)12-8-7-9-13/h4-12H2,1-3H3
InChIKeyCBVXWRRIFXXNPI-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.88
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

ethyl-hexadecyl-dipropoxysilane
CID 22228686
3-ethenoxypropyl-ethyl-dipropoxysilane
CID 139814959
decyl-dipropoxy-propylsilane
CID 22228664
ethyl-[[ethyl(dipropoxy)silyl]methyl]-dipropoxysilane
CID 87143890
dibutoxy-ethyl-propylsilane
CID 22556349
tributoxy(4-chlorobutyl)silane
CID 141455005
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
ethyl-(2-isocyanatoethyl)-dipropoxysilane
CID 142701820
butoxy-(3-chloropropyl)-diethylsilane
CID 140743875
4-chlorobutyl-diethyl-methoxysilane
CID 154288969

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutyl-ethyl-dipropoxysilane?
The IUPAC name of 4-chlorobutyl-ethyl-dipropoxysilane (CID 142729339) is 4-chlorobutyl-ethyl-dipropoxysilane.
What is the SMILES notation for 4-chlorobutyl-ethyl-dipropoxysilane?
The canonical SMILES for 4-chlorobutyl-ethyl-dipropoxysilane is CCCO[Si](CC)(CCCCCl)OCCC.
What is the InChIKey of 4-chlorobutyl-ethyl-dipropoxysilane?
The InChIKey is CBVXWRRIFXXNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO2Si/c1-4-10-14-16(6-3,15-11-5-2)12-8-7-9-13/h4-12H2,1-3H3.
What are the key properties of 4-chlorobutyl-ethyl-dipropoxysilane?
4-chlorobutyl-ethyl-dipropoxysilane has a molecular weight of 266.88 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl-ethyl-dipropoxysilane is sourced from PubChem (CID 142729339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).