tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane

C22H41BO3SSi — CID 59207290

IUPACtert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane
SMILESCC1(C)OB(c2ccc(CCCCCCO[Si](C)(C)C(C)(C)C)s2)OC1(C)C
InChIInChI=1S/C22H41BO3SSi/c1-20(2,3)28(8,9)24-17-13-11-10-12-14-18-15-16-19(27-18)23-25-21(4,5)22(6,7)26-23/h15-16H,10-14,17H2,1-9H3
InChIKeyUSJSDHASHSABMN-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.17
Rot. Bonds9

About tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane

tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane (PubChem CID 59207290) has the molecular formula C22H41BO3SSi and a molecular weight of 424.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane
PubChem CID59207290
Molecular FormulaC22H41BO3SSi
Molecular Weight424.53 g/mol
Exact Mass424.26
IUPAC Nametert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane
SMILESCC1(C)OB(c2ccc(CCCCCCO[Si](C)(C)C(C)(C)C)s2)OC1(C)C
InChIInChI=1S/C22H41BO3SSi/c1-20(2,3)28(8,9)24-17-13-11-10-12-14-18-15-16-19(27-18)23-25-21(4,5)22(6,7)26-23/h15-16H,10-14,17H2,1-9H3
InChIKeyUSJSDHASHSABMN-UHFFFAOYSA-N
XLogP6.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane (CID 59207290) is tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane is CC1(C)OB(c2ccc(CCCCCCO[Si](C)(C)C(C)(C)C)s2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane?
The InChIKey is USJSDHASHSABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41BO3SSi/c1-20(2,3)28(8,9)24-17-13-11-10-12-14-18-15-16-19(27-18)23-25-21(4,5)22(6,7)26-23/h15-16H,10-14,17H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane?
tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane has a molecular weight of 424.53 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane is sourced from PubChem (CID 59207290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).