(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane

C14H25BO3 — CID 54146376

IUPAC(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane
SMILESOB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C14H25BO3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-14,16H,1-10H2/t13-,14-/m1/s1
InChIKeyOEQZMTBWKXVRSB-ZIAGYGMSSA-N
MW252.16 g/mol
LogP2.91
Rot. Bonds2

About (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane

(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane (PubChem CID 54146376) has the molecular formula C14H25BO3 and a molecular weight of 252.16 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane
PubChem CID54146376
Molecular FormulaC14H25BO3
Molecular Weight252.16 g/mol
Exact Mass252.19
IUPAC Name(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane
SMILESOB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C14H25BO3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-14,16H,1-10H2/t13-,14-/m1/s1
InChIKeyOEQZMTBWKXVRSB-ZIAGYGMSSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane (CID 54146376) is (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane is OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane?
The InChIKey is OEQZMTBWKXVRSB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H25BO3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-14,16H,1-10H2/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane?
(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane has a molecular weight of 252.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane is sourced from PubChem (CID 54146376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).