4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole

C14H28B2O3Si2 — CID 629479

IUPAC4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCC1=C(C)[Si](C)(C)OB1OB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C14H28B2O3Si2/c1-9-13-11(3)20(5,6)18-15(13)17-16-14(10-2)12(4)21(7,8)19-16/h9-10H2,1-8H3
InChIKeyOBIPVJIYCCJKIF-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.06
Rot. Bonds4

About 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole

4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole (PubChem CID 629479) has the molecular formula C14H28B2O3Si2 and a molecular weight of 322.17 g/mol. Its IUPAC name is 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole.

Molecular Properties

Compound Name4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole
PubChem CID629479
Molecular FormulaC14H28B2O3Si2
Molecular Weight322.17 g/mol
Exact Mass322.18
IUPAC Name4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCC1=C(C)[Si](C)(C)OB1OB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C14H28B2O3Si2/c1-9-13-11(3)20(5,6)18-15(13)17-16-14(10-2)12(4)21(7,8)19-16/h9-10H2,1-8H3
InChIKeyOBIPVJIYCCJKIF-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole?
The IUPAC name of 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole (CID 629479) is 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole.
What is the SMILES notation for 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole?
The canonical SMILES for 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole is CCC1=C(C)[Si](C)(C)OB1OB1O[Si](C)(C)C(C)=C1CC.
What is the InChIKey of 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole?
The InChIKey is OBIPVJIYCCJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B2O3Si2/c1-9-13-11(3)20(5,6)18-15(13)17-16-14(10-2)12(4)21(7,8)19-16/h9-10H2,1-8H3.
What are the key properties of 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole?
4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole has a molecular weight of 322.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)oxy]-2,2,3-trimethyl-1,2,5-oxasilaborole is sourced from PubChem (CID 629479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).