5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

C11H23BOSi — CID 592787

IUPAC5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCC1=C(C)[Si](C)(C)OB1C(C)(C)C
InChIInChI=1S/C11H23BOSi/c1-8-10-9(2)14(6,7)13-12(10)11(3,4)5/h8H2,1-7H3
InChIKeyDZYNWILLDRMBSJ-UHFFFAOYSA-N
MW210.20 g/mol
LogP3.82
Rot. Bonds1

About 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (PubChem CID 592787) has the molecular formula C11H23BOSi and a molecular weight of 210.20 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.

Molecular Properties

Compound Name5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
PubChem CID592787
Molecular FormulaC11H23BOSi
Molecular Weight210.20 g/mol
Exact Mass210.16
IUPAC Name5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCC1=C(C)[Si](C)(C)OB1C(C)(C)C
InChIInChI=1S/C11H23BOSi/c1-8-10-9(2)14(6,7)13-12(10)11(3,4)5/h8H2,1-7H3
InChIKeyDZYNWILLDRMBSJ-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 574206
1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2-dimethyl-3-(1-methylethenyl)-
CID 586398
4,5,5-Triethyl-2,2,3-trimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
CID 14872838
2,4,5,5-Tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
CID 14872843
CID 176440313
CID 176440313
CID 176440314
CID 176440314
1-Oxa-2-sila-5-boracyclopent-3-ene, 2,4,5-triethyl-2,3-dimethyl-
CID 597424
Ether, bis(E-ethyl-2,5-dihydro-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)
CID 629479
4,5,5-Triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868953
2,4,5,5-Tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868957
5-Ethyl-2,2-dimethyl-3-pentan-3-ylidene-1,2,5-oxasilaborolane
CID 101783607

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The IUPAC name of 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (CID 592787) is 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.
What is the SMILES notation for 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The canonical SMILES for 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is CCC1=C(C)[Si](C)(C)OB1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The InChIKey is DZYNWILLDRMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BOSi/c1-8-10-9(2)14(6,7)13-12(10)11(3,4)5/h8H2,1-7H3.
What are the key properties of 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole has a molecular weight of 210.20 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is sourced from PubChem (CID 592787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).