chlorosilane;3,3-dichloropropyl prop-2-enoate

C6H11Cl3O2Si — CID 173094575

IUPACchlorosilane;3,3-dichloropropyl prop-2-enoate
SMILESC=CC(=O)OCCC(Cl)Cl.[SiH3]Cl
InChIInChI=1S/C6H8Cl2O2.ClH3Si/c1-2-6(9)10-4-3-5(7)8;1-2/h2,5H,1,3-4H2;2H3
InChIKeyYSCNWIOTTHFEBL-UHFFFAOYSA-N
MW249.60 g/mol
LogP1.41
Rot. Bonds4

About chlorosilane;3,3-dichloropropyl prop-2-enoate

chlorosilane;3,3-dichloropropyl prop-2-enoate (PubChem CID 173094575) has the molecular formula C6H11Cl3O2Si and a molecular weight of 249.60 g/mol. Its IUPAC name is chlorosilane;3,3-dichloropropyl prop-2-enoate.

Molecular Properties

Compound Namechlorosilane;3,3-dichloropropyl prop-2-enoate
PubChem CID173094575
Molecular FormulaC6H11Cl3O2Si
Molecular Weight249.60 g/mol
Exact Mass247.96
IUPAC Namechlorosilane;3,3-dichloropropyl prop-2-enoate
SMILESC=CC(=O)OCCC(Cl)Cl.[SiH3]Cl
InChIInChI=1S/C6H8Cl2O2.ClH3Si/c1-2-6(9)10-4-3-5(7)8;1-2/h2,5H,1,3-4H2;2H3
InChIKeyYSCNWIOTTHFEBL-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.60
LogP ≤ 51.41
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze chlorosilane;3,3-dichloropropyl prop-2-enoate 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

(3-chloro-4-hydroxybutyl) prop-2-enoate
CID 88836729
3,4-dichlorobutyl prop-2-enoate
CID 139672825
3-chlorohexyl prop-2-enoate
CID 150301446
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
3-prop-2-enoyloxypropane-1,1-disulfonic acid
CID 87960716
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 141300049
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of chlorosilane;3,3-dichloropropyl prop-2-enoate?
The IUPAC name of chlorosilane;3,3-dichloropropyl prop-2-enoate (CID 173094575) is chlorosilane;3,3-dichloropropyl prop-2-enoate.
What is the SMILES notation for chlorosilane;3,3-dichloropropyl prop-2-enoate?
The canonical SMILES for chlorosilane;3,3-dichloropropyl prop-2-enoate is C=CC(=O)OCCC(Cl)Cl.[SiH3]Cl.
What is the InChIKey of chlorosilane;3,3-dichloropropyl prop-2-enoate?
The InChIKey is YSCNWIOTTHFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2.ClH3Si/c1-2-6(9)10-4-3-5(7)8;1-2/h2,5H,1,3-4H2;2H3.
What are the key properties of chlorosilane;3,3-dichloropropyl prop-2-enoate?
chlorosilane;3,3-dichloropropyl prop-2-enoate has a molecular weight of 249.60 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosilane;3,3-dichloropropyl prop-2-enoate is sourced from PubChem (CID 173094575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).