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

C9H19BO3 — CID 144675494

IUPAC1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol
SMILESCC(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-7(11)6-10-12-8(2,3)9(4,5)13-10/h7,11H,6H2,1-5H3
InChIKeyCANSHEOYVFOCGK-UHFFFAOYSA-N
MW186.06 g/mol
LogP1.46
Rot. Bonds2

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

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol (PubChem CID 144675494) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol
PubChem CID144675494
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol
SMILESCC(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-7(11)6-10-12-8(2,3)9(4,5)13-10/h7,11H,6H2,1-5H3
InChIKeyCANSHEOYVFOCGK-UHFFFAOYSA-N
XLogP1.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 51.46
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-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 5017741
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethan-1-ol
CID 134128673
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol
CID 165996009
2,2-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 76764609
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 101892485
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
(1S)-2,2-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154711836
4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
2-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154713275
3,3-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154718682
3-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154719308

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol?
The IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol (CID 144675494) is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol is CC(O)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol?
The InChIKey is CANSHEOYVFOCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-7(11)6-10-12-8(2,3)9(4,5)13-10/h7,11H,6H2,1-5H3.
What are the key properties of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol?
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol has a molecular weight of 186.06 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-ol is sourced from PubChem (CID 144675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).