3-chloropropoxysilane

C3H9ClOSi — CID 123181828

IUPAC3-chloropropoxysilane
SMILES[SiH3]OCCCCl
InChIInChI=1S/C3H9ClOSi/c4-2-1-3-5-6/h1-3H2,6H3
InChIKeyPLCLTJXFCNRYTQ-UHFFFAOYSA-N
MW124.64 g/mol
LogP-0.09
Rot. Bonds3

About 3-chloropropoxysilane

3-chloropropoxysilane (PubChem CID 123181828) has the molecular formula C3H9ClOSi and a molecular weight of 124.64 g/mol. Its IUPAC name is 3-chloropropoxysilane.

Molecular Properties

Compound Name3-chloropropoxysilane
PubChem CID123181828
Molecular FormulaC3H9ClOSi
Molecular Weight124.64 g/mol
Exact Mass124.01
IUPAC Name3-chloropropoxysilane
SMILES[SiH3]OCCCCl
InChIInChI=1S/C3H9ClOSi/c4-2-1-3-5-6/h1-3H2,6H3
InChIKeyPLCLTJXFCNRYTQ-UHFFFAOYSA-N
XLogP-0.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': '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 3-chloropropoxysilane?
The IUPAC name of 3-chloropropoxysilane (CID 123181828) is 3-chloropropoxysilane.
What is the SMILES notation for 3-chloropropoxysilane?
The canonical SMILES for 3-chloropropoxysilane is [SiH3]OCCCCl.
What is the InChIKey of 3-chloropropoxysilane?
The InChIKey is PLCLTJXFCNRYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClOSi/c4-2-1-3-5-6/h1-3H2,6H3.
What are the key properties of 3-chloropropoxysilane?
3-chloropropoxysilane has a molecular weight of 124.64 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropoxysilane is sourced from PubChem (CID 123181828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).