trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C19H31BN2O3Si — CID 76846113

IUPACtrimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(cnn3COCC[Si](C)(C)C)c2)OC1(C)C
InChIInChI=1S/C19H31BN2O3Si/c1-18(2)19(3,4)25-20(24-18)16-8-9-17-15(12-16)13-21-22(17)14-23-10-11-26(5,6)7/h8-9,12-13H,10-11,14H2,1-7H3
InChIKeyBYTULISFAAQERJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.65
Rot. Bonds6

About trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 76846113) has the molecular formula C19H31BN2O3Si and a molecular weight of 374.37 g/mol. Its IUPAC name is trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID76846113
Molecular FormulaC19H31BN2O3Si
Molecular Weight374.37 g/mol
Exact Mass374.22
IUPAC Nametrimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(cnn3COCC[Si](C)(C)C)c2)OC1(C)C
InChIInChI=1S/C19H31BN2O3Si/c1-18(2)19(3,4)25-20(24-18)16-8-9-17-15(12-16)13-21-22(17)14-23-10-11-26(5,6)7/h8-9,12-13H,10-11,14H2,1-7H3
InChIKeyBYTULISFAAQERJ-UHFFFAOYSA-N
XLogP3.65
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 76846113) is trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(cnn3COCC[Si](C)(C)C)c2)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is BYTULISFAAQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31BN2O3Si/c1-18(2)19(3,4)25-20(24-18)16-8-9-17-15(12-16)13-21-22(17)14-23-10-11-26(5,6)7/h8-9,12-13H,10-11,14H2,1-7H3.
What are the key properties of trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 374.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 76846113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).