3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane

C18H40O7Si2 — CID 158666998

IUPAC3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane
SMILESCCC1CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CO1
InChIInChI=1S/C18H40O7Si2/c1-8-17-15-18(16-25-17,11-9-13-26(19-2,20-3)21-4)12-10-14-27(22-5,23-6)24-7/h17H,8-16H2,1-7H3
InChIKeyKJWCYSYBCJGDCV-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.49
Rot. Bonds15

About 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane

3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane (PubChem CID 158666998) has the molecular formula C18H40O7Si2 and a molecular weight of 424.68 g/mol. Its IUPAC name is 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane
PubChem CID158666998
Molecular FormulaC18H40O7Si2
Molecular Weight424.68 g/mol
Exact Mass424.23
IUPAC Name3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane
SMILESCCC1CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CO1
InChIInChI=1S/C18H40O7Si2/c1-8-17-15-18(16-25-17,11-9-13-26(19-2,20-3)21-4)12-10-14-27(22-5,23-6)24-7/h17H,8-16H2,1-7H3
InChIKeyKJWCYSYBCJGDCV-UHFFFAOYSA-N
XLogP3.49
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane?
The IUPAC name of 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane (CID 158666998) is 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane?
The canonical SMILES for 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane is CCC1CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CO1.
What is the InChIKey of 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane?
The InChIKey is KJWCYSYBCJGDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si2/c1-8-17-15-18(16-25-17,11-9-13-26(19-2,20-3)21-4)12-10-14-27(22-5,23-6)24-7/h17H,8-16H2,1-7H3.
What are the key properties of 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane?
3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane has a molecular weight of 424.68 g/mol, XLogP of 3.49, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-3-(3-trimethoxysilylpropyl)oxolan-3-yl]propyl-trimethoxysilane is sourced from PubChem (CID 158666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).