(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane

C11H14BClO2 — CID 15828376

IUPAC(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCl)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H14BClO2/c1-11(2)10(14-12(8-13)15-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyROFRBYNDMMXWGO-SNVBAGLBSA-N
MW224.50 g/mol
LogP2.82
Rot. Bonds2

About (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane

(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane (PubChem CID 15828376) has the molecular formula C11H14BClO2 and a molecular weight of 224.50 g/mol. Its IUPAC name is (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane
PubChem CID15828376
Molecular FormulaC11H14BClO2
Molecular Weight224.50 g/mol
Exact Mass224.08
IUPAC Name(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCl)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H14BClO2/c1-11(2)10(14-12(8-13)15-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyROFRBYNDMMXWGO-SNVBAGLBSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane?
The IUPAC name of (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane (CID 15828376) is (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane.
What is the SMILES notation for (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane?
The canonical SMILES for (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane is CC1(C)OB(CCl)O[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane?
The InChIKey is ROFRBYNDMMXWGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BClO2/c1-11(2)10(14-12(8-13)15-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane?
(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane has a molecular weight of 224.50 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).