(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one

C15H32OSi — CID 15317229

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one
SMILESCCCCC(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-10-12-13(16)14(11-9-2)17(6,7)15(3,4)5/h14H,8-12H2,1-7H3/t14-/m1/s1
InChIKeySNUKZPBZNIHHBY-CQSZACIVSA-N
MW256.51 g/mol
LogP5.42
Rot. Bonds7

About (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one

(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one (PubChem CID 15317229) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one
PubChem CID15317229
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one
SMILESCCCCC(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-10-12-13(16)14(11-9-2)17(6,7)15(3,4)5/h14H,8-12H2,1-7H3/t14-/m1/s1
InChIKeySNUKZPBZNIHHBY-CQSZACIVSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-[tert-butyl(dimethyl)silyl]nonan-5-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one (CID 15317229) is (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one is CCCCC(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one?
The InChIKey is SNUKZPBZNIHHBY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32OSi/c1-8-10-12-13(16)14(11-9-2)17(6,7)15(3,4)5/h14H,8-12H2,1-7H3/t14-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one?
(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one has a molecular weight of 256.51 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one is sourced from PubChem (CID 15317229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).