2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane

C8H17BO3 — CID 135049207

IUPAC2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane
SMILESCC(C)C(C)(C)OB1OCCO1
InChIInChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9-10-5-6-11-9/h7H,5-6H2,1-4H3
InChIKeySVNUVMQFTSOJBW-UHFFFAOYSA-N
MW172.03 g/mol
LogP1.47
Rot. Bonds3

About 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane

2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane (PubChem CID 135049207) has the molecular formula C8H17BO3 and a molecular weight of 172.03 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane
PubChem CID135049207
Molecular FormulaC8H17BO3
Molecular Weight172.03 g/mol
Exact Mass172.13
IUPAC Name2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane
SMILESCC(C)C(C)(C)OB1OCCO1
InChIInChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9-10-5-6-11-9/h7H,5-6H2,1-4H3
InChIKeySVNUVMQFTSOJBW-UHFFFAOYSA-N
XLogP1.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 5017741
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
2-[2-(Tert-butoxy)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101365439
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10975759
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 21057643
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727575

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane (CID 135049207) is 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane is CC(C)C(C)(C)OB1OCCO1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane?
The InChIKey is SVNUVMQFTSOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9-10-5-6-11-9/h7H,5-6H2,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane?
2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane has a molecular weight of 172.03 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yloxy)-1,3,2-dioxaborolane is sourced from PubChem (CID 135049207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).