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

C9H18Cl2O2Si — CID 87213844

IUPACdichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)OCC
InChIInChI=1S/C9H18Cl2O2Si/c1-4-13-14(10,11)7-5-6-12-8-9(2)3/h2,4-8H2,1,3H3
InChIKeyMEASIDCLGZEJMI-UHFFFAOYSA-N
MW257.23 g/mol
LogP3.42
Rot. Bonds8

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

dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 87213844) has the molecular formula C9H18Cl2O2Si and a molecular weight of 257.23 g/mol. Its IUPAC name is dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Namedichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID87213844
Molecular FormulaC9H18Cl2O2Si
Molecular Weight257.23 g/mol
Exact Mass256.05
IUPAC Namedichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(Cl)OCC
InChIInChI=1S/C9H18Cl2O2Si/c1-4-13-14(10,11)7-5-6-12-8-9(2)3/h2,4-8H2,1,3H3
InChIKeyMEASIDCLGZEJMI-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 53.42
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-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (CID 87213844) is dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](Cl)(Cl)OCC.
What is the InChIKey of dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is MEASIDCLGZEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2O2Si/c1-4-13-14(10,11)7-5-6-12-8-9(2)3/h2,4-8H2,1,3H3.
What are the key properties of dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 257.23 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-ethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 87213844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).