2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol

C14H31BO3 — CID 143895307

IUPAC2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol
SMILESCB1OC(C)(C)C(C)(C)O1.CC(C)(C)C(C)(C)O
InChIInChI=1S/C7H15BO2.C7H16O/c1-6(2)7(3,4)10-8(5)9-6;1-6(2,3)7(4,5)8/h1-5H3;8H,1-5H3
InChIKeyQPJNGVSCKIAXBK-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.51
Rot. Bonds

About 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol

2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol (PubChem CID 143895307) has the molecular formula C14H31BO3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol
PubChem CID143895307
Molecular FormulaC14H31BO3
Molecular Weight258.21 g/mol
Exact Mass258.24
IUPAC Name2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol
SMILESCB1OC(C)(C)C(C)(C)O1.CC(C)(C)C(C)(C)O
InChIInChI=1S/C7H15BO2.C7H16O/c1-6(2)7(3,4)10-8(5)9-6;1-6(2,3)7(4,5)8/h1-5H3;8H,1-5H3
InChIKeyQPJNGVSCKIAXBK-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.51
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-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2,2-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 76764609
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 141686665
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-ol
CID 101505488
4,4,5,5-tetramethyl-2-[(2S)-2,3,3-trimethylbutyl]-1,3,2-dioxaborolane
CID 125458188
(1S)-2,2-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154711836
(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154711967
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154712535
3,3-Dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154718682
4,4,5,5-Tetramethyl-2-neopentyl-1,3,2-dioxaborolane
CID 155892155
3-Hydroxypropylboronic acid pinacol ester
CID 85849978
2,3,4-Trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
CID 90995355

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol?
The IUPAC name of 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol (CID 143895307) is 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol is CB1OC(C)(C)C(C)(C)O1.CC(C)(C)C(C)(C)O.
What is the InChIKey of 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol?
The InChIKey is QPJNGVSCKIAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C7H16O/c1-6(2)7(3,4)10-8(5)9-6;1-6(2,3)7(4,5)8/h1-5H3;8H,1-5H3.
What are the key properties of 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol?
2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol has a molecular weight of 258.21 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 143895307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).