trichloro-[3-(2-methylprop-2-enoxy)propyl]silane

C7H13Cl3OSi — CID 20563726

IUPACtrichloro-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-7(2)6-11-4-3-5-12(8,9)10/h1,3-6H2,2H3
InChIKeyXRNPVTLXEONRAV-UHFFFAOYSA-N
MW247.62 g/mol
LogP3.62
Rot. Bonds6

About trichloro-[3-(2-methylprop-2-enoxy)propyl]silane

trichloro-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 20563726) has the molecular formula C7H13Cl3OSi and a molecular weight of 247.62 g/mol. Its IUPAC name is trichloro-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID20563726
Molecular FormulaC7H13Cl3OSi
Molecular Weight247.62 g/mol
Exact Mass245.98
IUPAC Nametrichloro-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-7(2)6-11-4-3-5-12(8,9)10/h1,3-6H2,2H3
InChIKeyXRNPVTLXEONRAV-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.62
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze trichloro-[3-(2-methylprop-2-enoxy)propyl]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

dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane
CID 67913450
trimethyl-[3-(2-methylprop-2-enoxy)propyl-[3-(2-methylprop-2-enoxy)propyl-bis(trimethylsilyloxy)silyl]oxy-trimethylsilyloxysilyl]oxysilane
CID 87093098
ethoxy-diethyl-[3-(2-methylprop-2-enoxy)propyl]silane
CID 87251812
CID 59269543
CID 59269543
dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane
CID 88829636
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
methyl-[3-(2-methylprop-2-enoxy)propyl]-diphenoxysilane
CID 69047162
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate
CID 88718474
dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
CID 173004132

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of trichloro-[3-(2-methylprop-2-enoxy)propyl]silane (CID 20563726) is trichloro-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for trichloro-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for trichloro-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is XRNPVTLXEONRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3OSi/c1-7(2)6-11-4-3-5-12(8,9)10/h1,3-6H2,2H3.
What are the key properties of trichloro-[3-(2-methylprop-2-enoxy)propyl]silane?
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 247.62 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 20563726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).