(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane

C18H33BO3 — CID 11573121

IUPAC(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
SMILESCC(C)(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H33BO3/c1-18(2,3)22-19-20-16(14-10-6-4-7-11-14)17(21-19)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyGMINXAVZPYPIFF-IAGOWNOFSA-N
MW308.27 g/mol
LogP4.73
Rot. Bonds3

About (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane

(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane (PubChem CID 11573121) has the molecular formula C18H33BO3 and a molecular weight of 308.27 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
PubChem CID11573121
Molecular FormulaC18H33BO3
Molecular Weight308.27 g/mol
Exact Mass308.25
IUPAC Name(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
SMILESCC(C)(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H33BO3/c1-18(2,3)22-19-20-16(14-10-6-4-7-11-14)17(21-19)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyGMINXAVZPYPIFF-IAGOWNOFSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
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-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane (CID 11573121) is (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane is CC(C)(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane?
The InChIKey is GMINXAVZPYPIFF-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H33BO3/c1-18(2,3)22-19-20-16(14-10-6-4-7-11-14)17(21-19)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane?
(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane has a molecular weight of 308.27 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane is sourced from PubChem (CID 11573121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).