tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane

C21H45BO3Si — CID 57373170

IUPACtri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane
SMILESCC(C)[Si](OCCCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C21H45BO3Si/c1-17(2)26(18(3)4,19(5)6)23-16-14-12-11-13-15-22-24-20(7,8)21(9,10)25-22/h17-19H,11-16H2,1-10H3
InChIKeyQKOZVUINULTFIK-UHFFFAOYSA-N
MW384.49 g/mol
LogP6.83
Rot. Bonds11

About tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane

tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane (PubChem CID 57373170) has the molecular formula C21H45BO3Si and a molecular weight of 384.49 g/mol. Its IUPAC name is tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane
PubChem CID57373170
Molecular FormulaC21H45BO3Si
Molecular Weight384.49 g/mol
Exact Mass384.32
IUPAC Nametri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane
SMILESCC(C)[Si](OCCCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C21H45BO3Si/c1-17(2)26(18(3)4,19(5)6)23-16-14-12-11-13-15-22-24-20(7,8)21(9,10)25-22/h17-19H,11-16H2,1-10H3
InChIKeyQKOZVUINULTFIK-UHFFFAOYSA-N
XLogP6.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 151148555
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 134956994
triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
CID 134996778
tert-butyl-dimethyl-[(2S)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008079
tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008422
tert-Butyldimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy)silane
CID 138980576
tert-butyl-[(3R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]-dimethylsilane
CID 154712399
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 154712526
5,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane
CID 154713110
Triethyl-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 154718826
tert-Butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy)silane
CID 69088283

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane?
The IUPAC name of tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane (CID 57373170) is tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane is CC(C)[Si](OCCCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane?
The InChIKey is QKOZVUINULTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45BO3Si/c1-17(2)26(18(3)4,19(5)6)23-16-14-12-11-13-15-22-24-20(7,8)21(9,10)25-22/h17-19H,11-16H2,1-10H3.
What are the key properties of tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane?
tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane has a molecular weight of 384.49 g/mol, XLogP of 6.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane is sourced from PubChem (CID 57373170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).