(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one

C15H32O3Si — CID 12692191

IUPAC(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one
SMILESCC(C)[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10(2)12(16)11(3)13(17)14(15(4,5)6)18-19(7,8)9/h10-12,14,16H,1-9H3/t11-,12+,14+/m0/s1
InChIKeyBEPJMOHQMMVGEL-OUCADQQQSA-N
MW288.50 g/mol
LogP3.47
Rot. Bonds6

About (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one

(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one (PubChem CID 12692191) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one.

Molecular Properties

Compound Name(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one
PubChem CID12692191
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one
SMILESCC(C)[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10(2)12(16)11(3)13(17)14(15(4,5)6)18-19(7,8)9/h10-12,14,16H,1-9H3/t11-,12+,14+/m0/s1
InChIKeyBEPJMOHQMMVGEL-OUCADQQQSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one?
The IUPAC name of (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one (CID 12692191) is (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one.
What is the SMILES notation for (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one?
The canonical SMILES for (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one is CC(C)[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one?
The InChIKey is BEPJMOHQMMVGEL-OUCADQQQSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-10(2)12(16)11(3)13(17)14(15(4,5)6)18-19(7,8)9/h10-12,14,16H,1-9H3/t11-,12+,14+/m0/s1.
What are the key properties of (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one?
(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one has a molecular weight of 288.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one is sourced from PubChem (CID 12692191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).