2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione

C16H30O3Si2 — CID 123150910

IUPAC2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione
SMILESC=C(C)C(=O)C(CCC)(C(=O)C(=C)C)[SiH](C)O[Si](C)(C)C
InChIInChI=1S/C16H30O3Si2/c1-10-11-16(14(17)12(2)3,15(18)13(4)5)20(6)19-21(7,8)9/h20H,2,4,10-11H2,1,3,5-9H3
InChIKeyWDGKJGYCBPVIJF-UHFFFAOYSA-N
MW326.59 g/mol
LogP4.02
Rot. Bonds9

About 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione

2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione (PubChem CID 123150910) has the molecular formula C16H30O3Si2 and a molecular weight of 326.59 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione
PubChem CID123150910
Molecular FormulaC16H30O3Si2
Molecular Weight326.59 g/mol
Exact Mass326.17
IUPAC Name2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione
SMILESC=C(C)C(=O)C(CCC)(C(=O)C(=C)C)[SiH](C)O[Si](C)(C)C
InChIInChI=1S/C16H30O3Si2/c1-10-11-16(14(17)12(2)3,15(18)13(4)5)20(6)19-21(7,8)9/h20H,2,4,10-11H2,1,3,5-9H3
InChIKeyWDGKJGYCBPVIJF-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane
CID 158276188
4-amino-2,4-dimethylhept-1-en-3-one
CID 88989754
[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 123245733
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
dimethylsilyloxy-[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilane;2-methylprop-2-enoic acid
CID 175053326
[methyl(dipropoxy)silyl] 2-methylprop-2-enoate
CID 151665203
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol
CID 157170433
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
CID 87238025
3,3,3-tris[tris(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18508468
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione?
The IUPAC name of 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione (CID 123150910) is 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione?
The canonical SMILES for 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione is C=C(C)C(=O)C(CCC)(C(=O)C(=C)C)[SiH](C)O[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione?
The InChIKey is WDGKJGYCBPVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si2/c1-10-11-16(14(17)12(2)3,15(18)13(4)5)20(6)19-21(7,8)9/h20H,2,4,10-11H2,1,3,5-9H3.
What are the key properties of 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione?
2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione has a molecular weight of 326.59 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione is sourced from PubChem (CID 123150910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).