1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol

C9H19BO3 — CID 142712921

IUPAC1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCOC1B(O)C(C)(C)C(C)(C)C1O
InChIInChI=1S/C9H19BO3/c1-8(2)6(11)7(13-5)10(12)9(8,3)4/h6-7,11-12H,1-5H3
InChIKeyCFRQKZLVXPAXMA-UHFFFAOYSA-N
MW186.06 g/mol
LogP0.71
Rot. Bonds1

About 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol

1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol (PubChem CID 142712921) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol.

Molecular Properties

Compound Name1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol
PubChem CID142712921
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCOC1B(O)C(C)(C)C(C)(C)C1O
InChIInChI=1S/C9H19BO3/c1-8(2)6(11)7(13-5)10(12)9(8,3)4/h6-7,11-12H,1-5H3
InChIKeyCFRQKZLVXPAXMA-UHFFFAOYSA-N
XLogP0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 50.71
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
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 60044851
CID 60044851
(3-Tert-butyloxolan-2-yl)methanol
CID 85294913
CID 89983495
CID 89983495
CID 89983497
CID 89983497
CID 90687993
CID 90687993
CID 91532647
CID 91532647

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol?
The IUPAC name of 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol (CID 142712921) is 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol.
What is the SMILES notation for 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol?
The canonical SMILES for 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol is COC1B(O)C(C)(C)C(C)(C)C1O.
What is the InChIKey of 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol?
The InChIKey is CFRQKZLVXPAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-8(2)6(11)7(13-5)10(12)9(8,3)4/h6-7,11-12H,1-5H3.
What are the key properties of 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol?
1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol has a molecular weight of 186.06 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methoxy-4,4,5,5-tetramethylborolan-3-ol is sourced from PubChem (CID 142712921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).