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

C11H23ClO3Si — CID 87213790

IUPACchloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(OCC)OCC
InChIInChI=1S/C11H23ClO3Si/c1-5-14-16(12,15-6-2)9-7-8-13-10-11(3)4/h3,5-10H2,1-2,4H3
InChIKeyUNNDNQDLPFXUQP-UHFFFAOYSA-N
MW266.84 g/mol
LogP3.22
Rot. Bonds10

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

chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 87213790) has the molecular formula C11H23ClO3Si and a molecular weight of 266.84 g/mol. Its IUPAC name is chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Namechloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID87213790
Molecular FormulaC11H23ClO3Si
Molecular Weight266.84 g/mol
Exact Mass266.11
IUPAC Namechloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](Cl)(OCC)OCC
InChIInChI=1S/C11H23ClO3Si/c1-5-14-16(12,15-6-2)9-7-8-13-10-11(3)4/h3,5-10H2,1-2,4H3
InChIKeyUNNDNQDLPFXUQP-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 53.22
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-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane (CID 87213790) is chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](Cl)(OCC)OCC.
What is the InChIKey of chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is UNNDNQDLPFXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO3Si/c1-5-14-16(12,15-6-2)9-7-8-13-10-11(3)4/h3,5-10H2,1-2,4H3.
What are the key properties of chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane?
chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 266.84 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 87213790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).