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

C17H31BO2 — CID 22878720

IUPAC(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H31BO2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyIJDJHSQZKLSKFN-IAGOWNOFSA-N
MW278.24 g/mol
LogP4.83
Rot. Bonds3

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

(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane (PubChem CID 22878720) has the molecular formula C17H31BO2 and a molecular weight of 278.24 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane
PubChem CID22878720
Molecular FormulaC17H31BO2
Molecular Weight278.24 g/mol
Exact Mass278.24
IUPAC Name(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H31BO2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyIJDJHSQZKLSKFN-IAGOWNOFSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-yl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane (CID 22878720) is (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane is CC(C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane?
The InChIKey is IJDJHSQZKLSKFN-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H31BO2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane?
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane has a molecular weight of 278.24 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 22878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).