2-chloropropoxysilane

C3H9ClOSi — CID 154197021

IUPAC2-chloropropoxysilane
SMILESCC(Cl)CO[SiH3]
InChIInChI=1S/C3H9ClOSi/c1-3(4)2-5-6/h3H,2H2,1,6H3
InChIKeyKQYLLTBLCUNTNV-UHFFFAOYSA-N
MW124.64 g/mol
LogP-0.09
Rot. Bonds2

About 2-chloropropoxysilane

2-chloropropoxysilane (PubChem CID 154197021) has the molecular formula C3H9ClOSi and a molecular weight of 124.64 g/mol. Its IUPAC name is 2-chloropropoxysilane.

Molecular Properties

Compound Name2-chloropropoxysilane
PubChem CID154197021
Molecular FormulaC3H9ClOSi
Molecular Weight124.64 g/mol
Exact Mass124.01
IUPAC Name2-chloropropoxysilane
SMILESCC(Cl)CO[SiH3]
InChIInChI=1S/C3H9ClOSi/c1-3(4)2-5-6/h3H,2H2,1,6H3
InChIKeyKQYLLTBLCUNTNV-UHFFFAOYSA-N
XLogP-0.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.64
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloropropoxysilane?
The IUPAC name of 2-chloropropoxysilane (CID 154197021) is 2-chloropropoxysilane.
What is the SMILES notation for 2-chloropropoxysilane?
The canonical SMILES for 2-chloropropoxysilane is CC(Cl)CO[SiH3].
What is the InChIKey of 2-chloropropoxysilane?
The InChIKey is KQYLLTBLCUNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClOSi/c1-3(4)2-5-6/h3H,2H2,1,6H3.
What are the key properties of 2-chloropropoxysilane?
2-chloropropoxysilane has a molecular weight of 124.64 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropoxysilane is sourced from PubChem (CID 154197021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).