4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane

C10H19BO2 — CID 67008889

IUPAC4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane
SMILESC[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-6-8(7)11-12-9(2,3)10(4,5)13-11/h7-8H,6H2,1-5H3/t7-,8-/m1/s1
InChIKeyTUXCUWZCFQDMLZ-HTQZYQBOSA-N
MW182.07 g/mol
LogP2.49
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane (PubChem CID 67008889) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane
PubChem CID67008889
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane
SMILESC[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-6-8(7)11-12-9(2,3)10(4,5)13-11/h7-8H,6H2,1-5H3/t7-,8-/m1/s1
InChIKeyTUXCUWZCFQDMLZ-HTQZYQBOSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.49
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-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
2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2758015
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
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-propyl-1,3,2-dioxaborolane
CID 10103569
4,4,5,5-Tetramethyl-2-(1-methylcyclopropyl)-1,3,2-dioxaborolane
CID 15148451
rac-2-((1R,2R)-2-(methoxymethyl)cyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane (CID 67008889) is 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane is C[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane?
The InChIKey is TUXCUWZCFQDMLZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19BO2/c1-7-6-8(7)11-12-9(2,3)10(4,5)13-11/h7-8H,6H2,1-5H3/t7-,8-/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.49, 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-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 67008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).