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

C18H35BO2Si — CID 135048786

IUPACtri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
SMILESCC(C)[Si](C#CCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H35BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h14-16H,12H2,1-10H3
InChIKeyFMIAIRMZSMWJMV-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.30
Rot. Bonds4

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

tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane (PubChem CID 135048786) has the molecular formula C18H35BO2Si and a molecular weight of 322.37 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
PubChem CID135048786
Molecular FormulaC18H35BO2Si
Molecular Weight322.37 g/mol
Exact Mass322.25
IUPAC Nametri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
SMILESCC(C)[Si](C#CCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H35BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h14-16H,12H2,1-10H3
InChIKeyFMIAIRMZSMWJMV-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane (CID 135048786) is tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane is CC(C)[Si](C#CCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The InChIKey is FMIAIRMZSMWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h14-16H,12H2,1-10H3.
What are the key properties of tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane has a molecular weight of 322.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane is sourced from PubChem (CID 135048786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).