(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

C10H21BO3 — CID 154712535

IUPAC(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-7-10(6,12)11-13-8(2,3)9(4,5)14-11/h12H,7H2,1-6H3/t10-/m1/s1
InChIKeyYYMQJMDCZZKGSB-SNVBAGLBSA-N
MW200.09 g/mol
LogP1.78
Rot. Bonds2

About (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 154712535) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID154712535
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Name(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-7-10(6,12)11-13-8(2,3)9(4,5)14-11/h12H,7H2,1-6H3/t10-/m1/s1
InChIKeyYYMQJMDCZZKGSB-SNVBAGLBSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.78
H-Bond Donors ≤ 51
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-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
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
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethan-1-ol
CID 134128673
4,4,5,5-Tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
CID 20645757
2,2-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 76764609
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-pentyl-
CID 10987217
2-(Butan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13491258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 154712535) is (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC[C@@](C)(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is YYMQJMDCZZKGSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21BO3/c1-7-10(6,12)11-13-8(2,3)9(4,5)14-11/h12H,7H2,1-6H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 200.09 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 154712535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).