bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane

C21H34O6Si — CID 141085160

IUPACbis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane
SMILESC=CCOC(CO[Si](CCC)(OCC=C)OCC=C)=C(OCC=C)OCC=C
InChIInChI=1S/C21H34O6Si/c1-7-13-22-20(21(23-14-8-2)24-15-9-3)19-27-28(18-12-6,25-16-10-4)26-17-11-5/h7-11H,1-5,12-19H2,6H3
InChIKeyLJTOHHXPWGNMRQ-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.53
Rot. Bonds20

About bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane

bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane (PubChem CID 141085160) has the molecular formula C21H34O6Si and a molecular weight of 410.58 g/mol. Its IUPAC name is bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane.

Molecular Properties

Compound Namebis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane
PubChem CID141085160
Molecular FormulaC21H34O6Si
Molecular Weight410.58 g/mol
Exact Mass410.21
IUPAC Namebis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane
SMILESC=CCOC(CO[Si](CCC)(OCC=C)OCC=C)=C(OCC=C)OCC=C
InChIInChI=1S/C21H34O6Si/c1-7-13-22-20(21(23-14-8-2)24-15-9-3)19-27-28(18-12-6,25-16-10-4)26-17-11-5/h7-11H,1-5,12-19H2,6H3
InChIKeyLJTOHHXPWGNMRQ-UHFFFAOYSA-N
XLogP4.53
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane?
The IUPAC name of bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane (CID 141085160) is bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane.
What is the SMILES notation for bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane?
The canonical SMILES for bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane is C=CCOC(CO[Si](CCC)(OCC=C)OCC=C)=C(OCC=C)OCC=C.
What is the InChIKey of bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane?
The InChIKey is LJTOHHXPWGNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O6Si/c1-7-13-22-20(21(23-14-8-2)24-15-9-3)19-27-28(18-12-6,25-16-10-4)26-17-11-5/h7-11H,1-5,12-19H2,6H3.
What are the key properties of bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane?
bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane has a molecular weight of 410.58 g/mol, XLogP of 4.53, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoxy)-propyl-[2,3,3-tris(prop-2-enoxy)prop-2-enoxy]silane is sourced from PubChem (CID 141085160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).