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

C17H34B2O5 — CID 170900106

IUPAC(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESC[C@@H](O)C[C@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-12(20)10-13(19-23-16(6,7)17(8,9)24-19)11-18-21-14(2,3)15(4,5)22-18/h12-13,20H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyRSHMZPUBNXWFJX-CHWSQXEVSA-N
MW340.08 g/mol
LogP3.31
Rot. Bonds5

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

(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (PubChem CID 170900106) has the molecular formula C17H34B2O5 and a molecular weight of 340.08 g/mol. Its IUPAC name is (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
PubChem CID170900106
Molecular FormulaC17H34B2O5
Molecular Weight340.08 g/mol
Exact Mass340.26
IUPAC Name(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESC[C@@H](O)C[C@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-12(20)10-13(19-23-16(6,7)17(8,9)24-19)11-18-21-14(2,3)15(4,5)22-18/h12-13,20H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyRSHMZPUBNXWFJX-CHWSQXEVSA-N
XLogP3.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The IUPAC name of (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (CID 170900106) is (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.
What is the SMILES notation for (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The canonical SMILES for (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is C[C@@H](O)C[C@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The InChIKey is RSHMZPUBNXWFJX-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H34B2O5/c1-12(20)10-13(19-23-16(6,7)17(8,9)24-19)11-18-21-14(2,3)15(4,5)22-18/h12-13,20H,10-11H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol has a molecular weight of 340.08 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is sourced from PubChem (CID 170900106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).