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

C18H33BO2 — CID 101234279

IUPAC(4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILESCC[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H33BO2/c1-3-14(2)19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h14-18H,3-13H2,1-2H3/t14-,17-,18-/m1/s1
InChIKeySEWYKJZAWDRXEI-ZTFGCOKTSA-N
MW292.27 g/mol
LogP5.22
Rot. Bonds4

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

(4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane (PubChem CID 101234279) has the molecular formula C18H33BO2 and a molecular weight of 292.27 g/mol. Its IUPAC name is (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
PubChem CID101234279
Molecular FormulaC18H33BO2
Molecular Weight292.27 g/mol
Exact Mass292.26
IUPAC Name(4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILESCC[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H33BO2/c1-3-14(2)19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h14-18H,3-13H2,1-2H3/t14-,17-,18-/m1/s1
InChIKeySEWYKJZAWDRXEI-ZTFGCOKTSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.27
LogP ≤ 55.22
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)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane (CID 101234279) is (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane is CC[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The InChIKey is SEWYKJZAWDRXEI-ZTFGCOKTSA-N. The full InChI is InChI=1S/C18H33BO2/c1-3-14(2)19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h14-18H,3-13H2,1-2H3/t14-,17-,18-/m1/s1.
What are the key properties of (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
(4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane has a molecular weight of 292.27 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(2R)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101234279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).