4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane

C11H19BO2 — CID 46739052

IUPAC4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane
SMILESCCCC#CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6-7H2,1-5H3
InChIKeyRXNSNUUTGWELNS-UHFFFAOYSA-N
MW194.08 g/mol
LogP2.42
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane (PubChem CID 46739052) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane
PubChem CID46739052
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Name4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane
SMILESCCCC#CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6-7H2,1-5H3
InChIKeyRXNSNUUTGWELNS-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.42
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 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane (CID 46739052) is 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane is CCCC#CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane?
The InChIKey is RXNSNUUTGWELNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6-7H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane has a molecular weight of 194.08 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-pent-1-ynyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46739052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).