(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one

C17H36O2Si — CID 142750059

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one
SMILESCCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-12-13-16(14-15(2)18)19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3/t16-/m1/s1
InChIKeyIHCXFQAELBXSSF-MRXNPFEDSA-N
MW300.56 g/mol
LogP5.72
Rot. Bonds10

About (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one (PubChem CID 142750059) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one
PubChem CID142750059
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one
SMILESCCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-12-13-16(14-15(2)18)19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3/t16-/m1/s1
InChIKeyIHCXFQAELBXSSF-MRXNPFEDSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[tert-butyl(dimethyl)silyl]oxyundecan-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one (CID 142750059) is (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one is CCCCCCC[C@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one?
The InChIKey is IHCXFQAELBXSSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-8-9-10-11-12-13-16(14-15(2)18)19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3/t16-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one has a molecular weight of 300.56 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxyundecan-2-one is sourced from PubChem (CID 142750059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).