1-hydroxy-4,4,5,5-tetramethylborolan-3-ol

C8H17BO2 — CID 142693273

IUPAC1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCC1(C)B(O)CC(O)C1(C)C
InChIInChI=1S/C8H17BO2/c1-7(2)6(10)5-9(11)8(7,3)4/h6,10-11H,5H2,1-4H3
InChIKeyXQHMYECTDWFSAC-UHFFFAOYSA-N
MW156.03 g/mol
LogP1.15
Rot. Bonds

About 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol

1-hydroxy-4,4,5,5-tetramethylborolan-3-ol (PubChem CID 142693273) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
PubChem CID142693273
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCC1(C)B(O)CC(O)C1(C)C
InChIInChI=1S/C8H17BO2/c1-7(2)6(10)5-9(11)8(7,3)4/h6,10-11H,5H2,1-4H3
InChIKeyXQHMYECTDWFSAC-UHFFFAOYSA-N
XLogP1.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
1-Hydroxy-4,4,5,5-tetramethyl-2-propan-2-yloxyborolan-3-ol
CID 140562327
1-Hydroxy-4,4,5,5-tetramethylborinan-3-ol
CID 141716520
1-Hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol
CID 142712921
3,4,4,5,5-Pentamethyl-2-propan-2-yloxyoxaborolane
CID 173561214

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol (CID 142693273) is 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol is CC1(C)B(O)CC(O)C1(C)C.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The InChIKey is XQHMYECTDWFSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-7(2)6(10)5-9(11)8(7,3)4/h6,10-11H,5H2,1-4H3.
What are the key properties of 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
1-hydroxy-4,4,5,5-tetramethylborolan-3-ol has a molecular weight of 156.03 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethylborolan-3-ol is sourced from PubChem (CID 142693273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).