chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane

C9H19ClO3Si — CID 23436657

IUPACchloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(OC)OC
InChIInChI=1S/C9H19ClO3Si/c1-9(2)8-13-6-5-7-14(10,11-3)12-4/h1,5-8H2,2-4H3
InChIKeyYXCNYYAFRABGFM-UHFFFAOYSA-N
MW238.79 g/mol
LogP2.44
Rot. Bonds8

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

chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 23436657) has the molecular formula C9H19ClO3Si and a molecular weight of 238.79 g/mol. Its IUPAC name is chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Namechloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID23436657
Molecular FormulaC9H19ClO3Si
Molecular Weight238.79 g/mol
Exact Mass238.08
IUPAC Namechloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(OC)OC
InChIInChI=1S/C9H19ClO3Si/c1-9(2)8-13-6-5-7-14(10,11-3)12-4/h1,5-8H2,2-4H3
InChIKeyYXCNYYAFRABGFM-UHFFFAOYSA-N
XLogP2.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (CID 23436657) is chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](Cl)(OC)OC.
What is the InChIKey of chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is YXCNYYAFRABGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3Si/c1-9(2)8-13-6-5-7-14(10,11-3)12-4/h1,5-8H2,2-4H3.
What are the key properties of chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 238.79 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 23436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).