(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one

C16H32O2Si — CID 11673640

IUPAC(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
SMILES[2H][C@@](C)(C=C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14+,16+/m1/s1/i13D
InChIKeyXZLOWORXARRPEJ-QDICKHPBSA-N
MW285.52 g/mol
LogP4.81
Rot. Bonds10

About (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one

(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one (PubChem CID 11673640) has the molecular formula C16H32O2Si and a molecular weight of 285.52 g/mol. Its IUPAC name is (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one.

Molecular Properties

Compound Name(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
PubChem CID11673640
Molecular FormulaC16H32O2Si
Molecular Weight285.52 g/mol
Exact Mass285.22
IUPAC Name(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
SMILES[2H][C@@](C)(C=C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14+,16+/m1/s1/i13D
InChIKeyXZLOWORXARRPEJ-QDICKHPBSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
CID 10265921
(3R,5S,6R,7S)-1,1-dibromo-3,5,7-trimethyl-6-tri(propan-2-yl)silyloxynon-1-en-4-one
CID 11156519
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
CID 134966593
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(5R, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865208
(5S, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865218
(1R)-1-[(1R,2R)-2-methylcyclopropyl]-1-triethylsilyloxyhex-5-en-3-one
CID 145945167

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one?
The IUPAC name of (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one (CID 11673640) is (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one.
What is the SMILES notation for (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one?
The canonical SMILES for (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one is [2H][C@@](C)(C=C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CC.
What is the InChIKey of (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one?
The InChIKey is XZLOWORXARRPEJ-QDICKHPBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14+,16+/m1/s1/i13D.
What are the key properties of (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one?
(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one has a molecular weight of 285.52 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one is sourced from PubChem (CID 11673640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).