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

C11H23BO3 — CID 154711967

IUPAC(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)[C@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(2)11(7,13)12-14-9(3,4)10(5,6)15-12/h8,13H,1-7H3/t11-/m0/s1
InChIKeyHCJKMWNMQHUYGA-NSHDSACASA-N
MW214.11 g/mol
LogP2.02
Rot. Bonds2

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

(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 154711967) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID154711967
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(C)[C@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(2)11(7,13)12-14-9(3,4)10(5,6)15-12/h8,13H,1-7H3/t11-/m0/s1
InChIKeyHCJKMWNMQHUYGA-NSHDSACASA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.02
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
2,2-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 76764609
2-(Butan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13491258
4,4,5,5-Tetramethyl-2-(3-methylbutyl)-1,3,2-dioxaborolane
CID 72545225
2-[(2R)-butan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 129405499
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 141686665

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 154711967) is (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC(C)[C@](C)(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is HCJKMWNMQHUYGA-NSHDSACASA-N. The full InChI is InChI=1S/C11H23BO3/c1-8(2)11(7,13)12-14-9(3,4)10(5,6)15-12/h8,13H,1-7H3/t11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 214.11 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 154711967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).