3-chloropropyl(dipropoxy)silane

C9H21ClO2Si — CID 123436656

IUPAC3-chloropropyl(dipropoxy)silane
SMILESCCCO[SiH](CCCCl)OCCC
InChIInChI=1S/C9H21ClO2Si/c1-3-7-11-13(9-5-6-10)12-8-4-2/h13H,3-9H2,1-2H3
InChIKeyPYHYDHMAAYLBAT-UHFFFAOYSA-N
MW224.80 g/mol
LogP2.69
Rot. Bonds9

About 3-chloropropyl(dipropoxy)silane

3-chloropropyl(dipropoxy)silane (PubChem CID 123436656) has the molecular formula C9H21ClO2Si and a molecular weight of 224.80 g/mol. Its IUPAC name is 3-chloropropyl(dipropoxy)silane.

Molecular Properties

Compound Name3-chloropropyl(dipropoxy)silane
PubChem CID123436656
Molecular FormulaC9H21ClO2Si
Molecular Weight224.80 g/mol
Exact Mass224.10
IUPAC Name3-chloropropyl(dipropoxy)silane
SMILESCCCO[SiH](CCCCl)OCCC
InChIInChI=1S/C9H21ClO2Si/c1-3-7-11-13(9-5-6-10)12-8-4-2/h13H,3-9H2,1-2H3
InChIKeyPYHYDHMAAYLBAT-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloropropyl(dipropoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
dipentoxy(propyl)silane
CID 123345702
3-dipentoxysilylpropyl(dipentoxy)silane
CID 123859896
isocyanic acid;pentyl(dipropoxy)silane
CID 172700048
dipropoxy(undec-10-enyl)silane
CID 123425466
2-dipropoxysilyl-N,N-dimethylethanamine
CID 123245425
N-(3-dipropoxysilylpropyl)butan-2-imine
CID 123900249
N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
CID 123412814
dipropoxysilylmethanethiol
CID 123201678
3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid
CID 173464123
butoxy-butyl-methoxysilane
CID 154072668
diethoxy(tetracosyl)silane
CID 151502912

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(dipropoxy)silane?
The IUPAC name of 3-chloropropyl(dipropoxy)silane (CID 123436656) is 3-chloropropyl(dipropoxy)silane.
What is the SMILES notation for 3-chloropropyl(dipropoxy)silane?
The canonical SMILES for 3-chloropropyl(dipropoxy)silane is CCCO[SiH](CCCCl)OCCC.
What is the InChIKey of 3-chloropropyl(dipropoxy)silane?
The InChIKey is PYHYDHMAAYLBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO2Si/c1-3-7-11-13(9-5-6-10)12-8-4-2/h13H,3-9H2,1-2H3.
What are the key properties of 3-chloropropyl(dipropoxy)silane?
3-chloropropyl(dipropoxy)silane has a molecular weight of 224.80 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(dipropoxy)silane is sourced from PubChem (CID 123436656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).