3-chloropropyl(tripropoxy)silane

C12H27ClO3Si — CID 3017244

IUPAC3-chloropropyl(tripropoxy)silane
SMILESCCCO[Si](CCCCl)(OCCC)OCCC
InChIInChI=1S/C12H27ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-12H2,1-3H3
InChIKeyPLXLQGPXPXIVKM-UHFFFAOYSA-N
MW282.88 g/mol
LogP3.83
Rot. Bonds12

About 3-chloropropyl(tripropoxy)silane

3-chloropropyl(tripropoxy)silane (PubChem CID 3017244) has the molecular formula C12H27ClO3Si and a molecular weight of 282.88 g/mol. Its IUPAC name is 3-chloropropyl(tripropoxy)silane.

Molecular Properties

Compound Name3-chloropropyl(tripropoxy)silane
PubChem CID3017244
Molecular FormulaC12H27ClO3Si
Molecular Weight282.88 g/mol
Exact Mass282.14
IUPAC Name3-chloropropyl(tripropoxy)silane
SMILESCCCO[Si](CCCCl)(OCCC)OCCC
InChIInChI=1S/C12H27ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-12H2,1-3H3
InChIKeyPLXLQGPXPXIVKM-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-chloropropyl(tripropoxy)silane?
The IUPAC name of 3-chloropropyl(tripropoxy)silane (CID 3017244) is 3-chloropropyl(tripropoxy)silane.
What is the SMILES notation for 3-chloropropyl(tripropoxy)silane?
The canonical SMILES for 3-chloropropyl(tripropoxy)silane is CCCO[Si](CCCCl)(OCCC)OCCC.
What is the InChIKey of 3-chloropropyl(tripropoxy)silane?
The InChIKey is PLXLQGPXPXIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-12H2,1-3H3.
What are the key properties of 3-chloropropyl(tripropoxy)silane?
3-chloropropyl(tripropoxy)silane has a molecular weight of 282.88 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(tripropoxy)silane is sourced from PubChem (CID 3017244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).