(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one

C17H34O2Si — CID 53328469

IUPAC(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
SMILESC=C[C@H](C)CC(=O)C[C@@H](CCC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-7-12-17(14-16(18)13-15(6)8-2)19-20(9-3,10-4)11-5/h8,15,17H,2,7,9-14H2,1,3-6H3/t15-,17+/m0/s1
InChIKeyDXGWFVSOJPQQDG-DOTOQJQBSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds12

About (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one

(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one (PubChem CID 53328469) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one.

Molecular Properties

Compound Name(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
PubChem CID53328469
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
SMILESC=C[C@H](C)CC(=O)C[C@@H](CCC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-7-12-17(14-16(18)13-15(6)8-2)19-20(9-3,10-4)11-5/h8,15,17H,2,7,9-14H2,1,3-6H3/t15-,17+/m0/s1
InChIKeyDXGWFVSOJPQQDG-DOTOQJQBSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.35
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'}

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Related Compounds

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
CID 10265921
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
CID 10968548
(3R,5S,6R,7S)-1,1-dibromo-3,5,7-trimethyl-6-tri(propan-2-yl)silyloxynon-1-en-4-one
CID 11156519
(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(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
CID 145945194
CID 145945194
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one?
The IUPAC name of (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one (CID 53328469) is (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one.
What is the SMILES notation for (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one?
The canonical SMILES for (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one is C=C[C@H](C)CC(=O)C[C@@H](CCC)O[Si](CC)(CC)CC.
What is the InChIKey of (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one?
The InChIKey is DXGWFVSOJPQQDG-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-12-17(14-16(18)13-15(6)8-2)19-20(9-3,10-4)11-5/h8,15,17H,2,7,9-14H2,1,3-6H3/t15-,17+/m0/s1.
What are the key properties of (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one?
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one has a molecular weight of 298.54 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one is sourced from PubChem (CID 53328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).