1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol

C11H23BO3 — CID 140562327

IUPAC1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol
SMILESCC(C)OC1B(O)C(C)(C)C(C)(C)C1O
InChIInChI=1S/C11H23BO3/c1-7(2)15-9-8(13)10(3,4)11(5,6)12(9)14/h7-9,13-14H,1-6H3
InChIKeyKGOFPOUKENUJTD-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.48
Rot. Bonds2

About 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol

1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol (PubChem CID 140562327) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol
PubChem CID140562327
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol
SMILESCC(C)OC1B(O)C(C)(C)C(C)(C)C1O
InChIInChI=1S/C11H23BO3/c1-7(2)15-9-8(13)10(3,4)11(5,6)12(9)14/h7-9,13-14H,1-6H3
InChIKeyKGOFPOUKENUJTD-UHFFFAOYSA-N
XLogP1.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-1,3,2-dioxyborolane
CID 142693273
CID 89983494
CID 89983494
(3,3,4,4,5-Pentamethyloxolan-2-yl)methanol
CID 20584500
4-Tert-butyloxolan-3-ol
CID 59028444
CID 59076971
CID 59076971
rac-(3R,4S)-4-tert-butyloxolan-3-ol
CID 59479702
CID 59882492
CID 59882492
CID 59906668
CID 59906668
CID 60044851
CID 60044851
3-Tert-butyl-2-methyloxolan-3-ol
CID 82719216
(3-Tert-butyloxolan-2-yl)methanol
CID 85294913
CID 89983495
CID 89983495

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol (CID 140562327) is 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol is CC(C)OC1B(O)C(C)(C)C(C)(C)C1O.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol?
The InChIKey is KGOFPOUKENUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-7(2)15-9-8(13)10(3,4)11(5,6)12(9)14/h7-9,13-14H,1-6H3.
What are the key properties of 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol?
1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol has a molecular weight of 214.11 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol is sourced from PubChem (CID 140562327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).