4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane

C21H34B2O4 — CID 101257334

IUPAC4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
SMILESC[C@@H](B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C21H34B2O4/c1-15(22-24-18(2,3)19(4,5)25-22)17(16-13-11-10-12-14-16)23-26-20(6,7)21(8,9)27-23/h10-15,17H,1-9H3/t15-,17+/m1/s1
InChIKeyKCZQZQQZHRRDNP-WBVHZDCISA-N
MW372.12 g/mol
LogP4.88
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane (PubChem CID 101257334) has the molecular formula C21H34B2O4 and a molecular weight of 372.12 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
PubChem CID101257334
Molecular FormulaC21H34B2O4
Molecular Weight372.12 g/mol
Exact Mass372.26
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
SMILESC[C@@H](B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C21H34B2O4/c1-15(22-24-18(2,3)19(4,5)25-22)17(16-13-11-10-12-14-16)23-26-20(6,7)21(8,9)27-23/h10-15,17H,1-9H3/t15-,17+/m1/s1
InChIKeyKCZQZQQZHRRDNP-WBVHZDCISA-N
XLogP4.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.12
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane (CID 101257334) is 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane is C[C@@H](B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is KCZQZQQZHRRDNP-WBVHZDCISA-N. The full InChI is InChI=1S/C21H34B2O4/c1-15(22-24-18(2,3)19(4,5)25-22)17(16-13-11-10-12-14-16)23-26-20(6,7)21(8,9)27-23/h10-15,17H,1-9H3/t15-,17+/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 372.12 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 101257334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).