2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol

C15H30BO3+ — CID 90995355

IUPAC2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
SMILESCC(C)C(C)([CH+]B1OC(C)(C)C(C)(C)O1)C(C)(C)O
InChIInChI=1S/C15H30BO3/c1-11(2)15(9,12(3,4)17)10-16-18-13(5,6)14(7,8)19-16/h10-11,17H,1-9H3/q+1
InChIKeyAAPUSHLLRDQAPL-UHFFFAOYSA-N
MW269.21 g/mol
LogP3.26
Rot. Bonds4

About 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol

2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol (PubChem CID 90995355) has the molecular formula C15H30BO3+ and a molecular weight of 269.21 g/mol. Its IUPAC name is 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
PubChem CID90995355
Molecular FormulaC15H30BO3+
Molecular Weight269.21 g/mol
Exact Mass269.23
IUPAC Name2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
SMILESCC(C)C(C)([CH+]B1OC(C)(C)C(C)(C)O1)C(C)(C)O
InChIInChI=1S/C15H30BO3/c1-11(2)15(9,12(3,4)17)10-16-18-13(5,6)14(7,8)19-16/h10-11,17H,1-9H3/q+1
InChIKeyAAPUSHLLRDQAPL-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154718582
(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154719660
2,4,4,5-Tetramethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 66660036
CID 90708485
CID 90708485
2,3,3-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 91564046
1-Hydroxy-2,3,4,4-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borolan-3-ol
CID 141706600
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,3,3-trimethylbutan-2-ol
CID 143895307
4-Ethyl-4,5,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 173884280
2-Tert-butyl-4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 173996635
(3-Hydroxy-3,4,4-trimethylpentyl)boronic acid
CID 55256109
4,4,5,5-Tetramethyl-2-(2,4,4-trimethylpentyl)-1,3,2-dioxaborolane
CID 101877343

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol?
The IUPAC name of 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol (CID 90995355) is 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol.
What is the SMILES notation for 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol?
The canonical SMILES for 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol is CC(C)C(C)([CH+]B1OC(C)(C)C(C)(C)O1)C(C)(C)O.
What is the InChIKey of 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol?
The InChIKey is AAPUSHLLRDQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BO3/c1-11(2)15(9,12(3,4)17)10-16-18-13(5,6)14(7,8)19-16/h10-11,17H,1-9H3/q+1.
What are the key properties of 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol?
2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol has a molecular weight of 269.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol is sourced from PubChem (CID 90995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).