(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one

C13H25BrO2Si — CID 100954480

IUPAC(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one
SMILESCC(=O)C[C@@H](O[Si](C)(C)CBr)C1CCCCC1
InChIInChI=1S/C13H25BrO2Si/c1-11(15)9-13(16-17(2,3)10-14)12-7-5-4-6-8-12/h12-13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyVDOHJCRRNWQBDE-CYBMUJFWSA-N
MW321.33 g/mol
LogP4.07
Rot. Bonds6

About (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one

(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one (PubChem CID 100954480) has the molecular formula C13H25BrO2Si and a molecular weight of 321.33 g/mol. Its IUPAC name is (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one.

Molecular Properties

Compound Name(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one
PubChem CID100954480
Molecular FormulaC13H25BrO2Si
Molecular Weight321.33 g/mol
Exact Mass320.08
IUPAC Name(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one
SMILESCC(=O)C[C@@H](O[Si](C)(C)CBr)C1CCCCC1
InChIInChI=1S/C13H25BrO2Si/c1-11(15)9-13(16-17(2,3)10-14)12-7-5-4-6-8-12/h12-13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyVDOHJCRRNWQBDE-CYBMUJFWSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.07
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 (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one?
The IUPAC name of (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one (CID 100954480) is (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one.
What is the SMILES notation for (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one?
The canonical SMILES for (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one is CC(=O)C[C@@H](O[Si](C)(C)CBr)C1CCCCC1.
What is the InChIKey of (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one?
The InChIKey is VDOHJCRRNWQBDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25BrO2Si/c1-11(15)9-13(16-17(2,3)10-14)12-7-5-4-6-8-12/h12-13H,4-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one?
(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one has a molecular weight of 321.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one is sourced from PubChem (CID 100954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).