3-chloropropyl-tris(prop-2-enoxy)silane

C12H21ClO3Si — CID 86081100

IUPAC3-chloropropyl-tris(prop-2-enoxy)silane
SMILESC=CCO[Si](CCCCl)(OCC=C)OCC=C
InChIInChI=1S/C12H21ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-6H,1-3,7-12H2
InChIKeyBPZOKXLMZDHZFM-UHFFFAOYSA-N
MW276.84 g/mol
LogP3.16
Rot. Bonds12

About 3-chloropropyl-tris(prop-2-enoxy)silane

3-chloropropyl-tris(prop-2-enoxy)silane (PubChem CID 86081100) has the molecular formula C12H21ClO3Si and a molecular weight of 276.84 g/mol. Its IUPAC name is 3-chloropropyl-tris(prop-2-enoxy)silane.

Molecular Properties

Compound Name3-chloropropyl-tris(prop-2-enoxy)silane
PubChem CID86081100
Molecular FormulaC12H21ClO3Si
Molecular Weight276.84 g/mol
Exact Mass276.09
IUPAC Name3-chloropropyl-tris(prop-2-enoxy)silane
SMILESC=CCO[Si](CCCCl)(OCC=C)OCC=C
InChIInChI=1S/C12H21ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-6H,1-3,7-12H2
InChIKeyBPZOKXLMZDHZFM-UHFFFAOYSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.84
LogP ≤ 53.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-chloropropyl-tris(prop-2-enoxy)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

chloromethyl-tris(prop-2-enoxy)silane
CID 175534443
heptyl-dimethoxy-prop-2-enoxysilane
CID 141340413
3-chloropropyl-methyl-bis(prop-2-enyl)silane
CID 86198059
chloromethoxy-(3-chloropropyl)-dimethoxysilane
CID 154396099
28-chlorooctacosyl(triethoxy)silane
CID 87685970
trizinc bis(trioxido(prop-2-enoxy)silane)
CID 173011776
tris(but-2-en-2-ylsilyloxy)-(3-chloropropyl)silane
CID 173182278
3-chloropropyl diethoxy prop-2-enyl silicate
CID 174682643
tributoxy(4-chlorobutyl)silane
CID 141455005
3-chloropropyl-bis[[ethenyl(dimethyl)silyl]oxy]-methylsilane
CID 154409896
3-chloropropyl(triethoxy)silane;isocyanatosilane
CID 175325315
[(E)-but-2-enyl]-tris(prop-2-enoxy)silane
CID 141085162

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-tris(prop-2-enoxy)silane?
The IUPAC name of 3-chloropropyl-tris(prop-2-enoxy)silane (CID 86081100) is 3-chloropropyl-tris(prop-2-enoxy)silane.
What is the SMILES notation for 3-chloropropyl-tris(prop-2-enoxy)silane?
The canonical SMILES for 3-chloropropyl-tris(prop-2-enoxy)silane is C=CCO[Si](CCCCl)(OCC=C)OCC=C.
What is the InChIKey of 3-chloropropyl-tris(prop-2-enoxy)silane?
The InChIKey is BPZOKXLMZDHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-6H,1-3,7-12H2.
What are the key properties of 3-chloropropyl-tris(prop-2-enoxy)silane?
3-chloropropyl-tris(prop-2-enoxy)silane has a molecular weight of 276.84 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-tris(prop-2-enoxy)silane is sourced from PubChem (CID 86081100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).