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

C8H16Cl2O2Si — CID 23436655

IUPACdichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)OC
InChIInChI=1S/C8H16Cl2O2Si/c1-8(2)7-12-5-4-6-13(9,10)11-3/h1,4-7H2,2-3H3
InChIKeyAGBVHYINSUDTRO-UHFFFAOYSA-N
MW243.21 g/mol
LogP3.03
Rot. Bonds7

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

dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 23436655) has the molecular formula C8H16Cl2O2Si and a molecular weight of 243.21 g/mol. Its IUPAC name is dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Namedichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID23436655
Molecular FormulaC8H16Cl2O2Si
Molecular Weight243.21 g/mol
Exact Mass242.03
IUPAC Namedichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)OC
InChIInChI=1S/C8H16Cl2O2Si/c1-8(2)7-12-5-4-6-13(9,10)11-3/h1,4-7H2,2-3H3
InChIKeyAGBVHYINSUDTRO-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane (CID 23436655) is dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](Cl)(Cl)OC.
What is the InChIKey of dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is AGBVHYINSUDTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2Si/c1-8(2)7-12-5-4-6-13(9,10)11-3/h1,4-7H2,2-3H3.
What are the key properties of dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 243.21 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methoxy-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 23436655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).