2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H17BO2 — CID 2758015

IUPAC2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC2)OC1(C)C
InChIInChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKeyXGBMQBPLWXTEPM-UHFFFAOYSA-N
MW168.05 g/mol
LogP2.24
Rot. Bonds1

About 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 2758015) has the molecular formula C9H17BO2 and a molecular weight of 168.05 g/mol. Its IUPAC name is 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID2758015
Molecular FormulaC9H17BO2
Molecular Weight168.05 g/mol
Exact Mass168.13
IUPAC Name2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC2)OC1(C)C
InChIInChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKeyXGBMQBPLWXTEPM-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
2-(2,2-Dimethylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66633769
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane
CID 11759390
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-Cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71758241
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
2-(Cyclopropylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101544409
4,4,5,5-Tetramethyl-2-(2,2,3,3-tetramethylcyclopropyl)-1,3,2-dioxaborolane
CID 137965601

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 2758015) is 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CC2)OC1(C)C.
What is the InChIKey of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XGBMQBPLWXTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 168.05 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 2758015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).