dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane

C8H16Cl2OSi — CID 23436658

IUPACdichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](C)(Cl)Cl
InChIInChI=1S/C8H16Cl2OSi/c1-8(2)7-11-5-4-6-12(3,9)10/h1,4-7H2,2-3H3
InChIKeyWFQFTCIOWPRZFQ-UHFFFAOYSA-N
MW227.21 g/mol
LogP3.52
Rot. Bonds6

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

dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 23436658) has the molecular formula C8H16Cl2OSi and a molecular weight of 227.21 g/mol. Its IUPAC name is dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Namedichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID23436658
Molecular FormulaC8H16Cl2OSi
Molecular Weight227.21 g/mol
Exact Mass226.03
IUPAC Namedichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](C)(Cl)Cl
InChIInChI=1S/C8H16Cl2OSi/c1-8(2)7-11-5-4-6-12(3,9)10/h1,4-7H2,2-3H3
InChIKeyWFQFTCIOWPRZFQ-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 53.52
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'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane (CID 23436658) is dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is WFQFTCIOWPRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2OSi/c1-8(2)7-11-5-4-6-12(3,9)10/h1,4-7H2,2-3H3.
What are the key properties of dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane?
dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 227.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 23436658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).