2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H17BO3 — CID 12174057

IUPAC2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESB1(OC(C(O1)(C)C)(C)C)C#CCOC
InChIInChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h8H2,1-5H3
InChIKeyBJDZPOHVHLSGDP-UHFFFAOYSA-N
MW196.05 g/mol
LogP—
Rot. Bonds2

About 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 12174057) has the molecular formula C10H17BO3 and a molecular weight of 196.05 g/mol. Its IUPAC name is 2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID12174057
Molecular FormulaC10H17BO3
Molecular Weight196.05 g/mol
Exact Mass196.13
IUPAC Name2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESB1(OC(C(O1)(C)C)(C)C)C#CCOC
InChIInChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h8H2,1-5H3
InChIKeyBJDZPOHVHLSGDP-UHFFFAOYSA-N
XLogP—
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity256

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 12174057) is 2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is B1(OC(C(O1)(C)C)(C)C)C#CCOC.
What is the InChIKey of 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BJDZPOHVHLSGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h8H2,1-5H3.
What are the key properties of 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 196.05 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 12174057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).