triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane

C14H30O4Si — CID 87434393

IUPACtriethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-15-13-14(4)5/h4,6-13H2,1-3,5H3
InChIKeyJEDMTNNJQGMDJP-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.41
Rot. Bonds13

About triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane

triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane (PubChem CID 87434393) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
PubChem CID87434393
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Nametriethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-15-13-14(4)5/h4,6-13H2,1-3,5H3
InChIKeyJEDMTNNJQGMDJP-UHFFFAOYSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The IUPAC name of triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane (CID 87434393) is triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane.
What is the SMILES notation for triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The canonical SMILES for triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane is C=C(C)COCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The InChIKey is JEDMTNNJQGMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-15-13-14(4)5/h4,6-13H2,1-3,5H3.
What are the key properties of triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane has a molecular weight of 290.48 g/mol, XLogP of 3.41, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(2-methylprop-2-enoxy)butyl]silane is sourced from PubChem (CID 87434393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).