2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane

C13H23F3O2Si2 — CID 175025932

IUPAC2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane
SMILESC=C(C)C1CCC[Si](C[SiH]2CCCCO2)(C(F)(F)F)O1
InChIInChI=1S/C13H23F3O2Si2/c1-11(2)12-6-5-9-20(18-12,13(14,15)16)10-19-8-4-3-7-17-19/h12,19H,1,3-10H2,2H3
InChIKeyOMQKORUXODNHPU-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.86
Rot. Bonds3

About 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane

2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane (PubChem CID 175025932) has the molecular formula C13H23F3O2Si2 and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane.

Molecular Properties

Compound Name2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane
PubChem CID175025932
Molecular FormulaC13H23F3O2Si2
Molecular Weight324.49 g/mol
Exact Mass324.12
IUPAC Name2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane
SMILESC=C(C)C1CCC[Si](C[SiH]2CCCCO2)(C(F)(F)F)O1
InChIInChI=1S/C13H23F3O2Si2/c1-11(2)12-6-5-9-20(18-12,13(14,15)16)10-19-8-4-3-7-17-19/h12,19H,1,3-10H2,2H3
InChIKeyOMQKORUXODNHPU-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane?
The IUPAC name of 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane (CID 175025932) is 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane.
What is the SMILES notation for 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane?
The canonical SMILES for 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane is C=C(C)C1CCC[Si](C[SiH]2CCCCO2)(C(F)(F)F)O1.
What is the InChIKey of 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane?
The InChIKey is OMQKORUXODNHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O2Si2/c1-11(2)12-6-5-9-20(18-12,13(14,15)16)10-19-8-4-3-7-17-19/h12,19H,1,3-10H2,2H3.
What are the key properties of 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane?
2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane has a molecular weight of 324.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxasilinan-2-ylmethyl)-6-prop-1-en-2-yl-2-(trifluoromethyl)oxasilinane is sourced from PubChem (CID 175025932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).