(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol

C13H27BO3 — CID 154719660

IUPAC(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCCC(CC)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO3/c1-8-10(9-2)13(7,15)14-16-11(3,4)12(5,6)17-14/h10,15H,8-9H2,1-7H3/t13-/m1/s1
InChIKeyURELVJZWINJWAR-CYBMUJFWSA-N
MW242.17 g/mol
LogP2.81
Rot. Bonds4

About (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol

(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (PubChem CID 154719660) has the molecular formula C13H27BO3 and a molecular weight of 242.17 g/mol. Its IUPAC name is (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
PubChem CID154719660
Molecular FormulaC13H27BO3
Molecular Weight242.17 g/mol
Exact Mass242.21
IUPAC Name(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCCC(CC)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO3/c1-8-10(9-2)13(7,15)14-16-11(3,4)12(5,6)17-14/h10,15H,8-9H2,1-7H3/t13-/m1/s1
InChIKeyURELVJZWINJWAR-CYBMUJFWSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 52.81
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-(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
(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
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154718582
2,4,4,5-Tetramethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 66660036
2,3,4-Trimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pentan-2-ol
CID 90995355
4-Ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91021424
CID 91402031
CID 91402031
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 123813047
Propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane
CID 145395470

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The IUPAC name of (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (CID 154719660) is (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.
What is the SMILES notation for (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The canonical SMILES for (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is CCC(CC)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The InChIKey is URELVJZWINJWAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27BO3/c1-8-10(9-2)13(7,15)14-16-11(3,4)12(5,6)17-14/h10,15H,8-9H2,1-7H3/t13-/m1/s1.
What are the key properties of (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol has a molecular weight of 242.17 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is sourced from PubChem (CID 154719660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).