1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane

C16H32O3Si — CID 174832473

IUPAC1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane
SMILESC=CCC1CCC[Si](OCC)(OCC)C1(CC)OCC
InChIInChI=1S/C16H32O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h6,15H,1,7-14H2,2-5H3
InChIKeyAIQCCHJPYWCKQA-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.21
Rot. Bonds9

About 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane

1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane (PubChem CID 174832473) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane
PubChem CID174832473
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane
SMILESC=CCC1CCC[Si](OCC)(OCC)C1(CC)OCC
InChIInChI=1S/C16H32O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h6,15H,1,7-14H2,2-5H3
InChIKeyAIQCCHJPYWCKQA-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane (CID 174832473) is 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane is C=CCC1CCC[Si](OCC)(OCC)C1(CC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane?
The InChIKey is AIQCCHJPYWCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h6,15H,1,7-14H2,2-5H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane?
1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane has a molecular weight of 300.51 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-ethyl-3-prop-2-enylsilinane is sourced from PubChem (CID 174832473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).