6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione

C17H30O3Si — CID 147337646

IUPAC6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
SMILESC=CC(=O)CCC(CCC(=O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-14(18)10-12-16(13-11-15(19)9-2)20-21(6,7)17(3,4)5/h8-9,16H,1-2,10-13H2,3-7H3
InChIKeyDCWATSWNYUEBFG-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.45
Rot. Bonds10

About 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione

6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione (PubChem CID 147337646) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
PubChem CID147337646
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
SMILESC=CC(=O)CCC(CCC(=O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-14(18)10-12-16(13-11-15(19)9-2)20-21(6,7)17(3,4)5/h8-9,16H,1-2,10-13H2,3-7H3
InChIKeyDCWATSWNYUEBFG-UHFFFAOYSA-N
XLogP4.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
4-[Tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
CID 135079241
(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
6-[Ethyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
CID 161815156
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
3-[Tert-butyl(dimethyl)silyl]oxydodec-1-en-6-one
CID 16043544
(5R,6S)-6-methyl-5-triethylsilyloxynon-1-en-3-one
CID 101539108

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione (CID 147337646) is 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione is C=CC(=O)CCC(CCC(=O)C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione?
The InChIKey is DCWATSWNYUEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-8-14(18)10-12-16(13-11-15(19)9-2)20-21(6,7)17(3,4)5/h8-9,16H,1-2,10-13H2,3-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione?
6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione has a molecular weight of 310.51 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione is sourced from PubChem (CID 147337646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).