(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione

C12H24O2Si2 — CID 10587207

IUPAC(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione
SMILESC[Si](C)(C)C(=O)C/C=C/CC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-15(2,3)11(13)9-7-8-10-12(14)16(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyZYMAOCAFJNOTLK-BQYQJAHWSA-N
MW256.49 g/mol
LogP3.22
Rot. Bonds6

About (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione

(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione (PubChem CID 10587207) has the molecular formula C12H24O2Si2 and a molecular weight of 256.49 g/mol. Its IUPAC name is (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione.

Molecular Properties

Compound Name(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione
PubChem CID10587207
Molecular FormulaC12H24O2Si2
Molecular Weight256.49 g/mol
Exact Mass256.13
IUPAC Name(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione
SMILESC[Si](C)(C)C(=O)C/C=C/CC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-15(2,3)11(13)9-7-8-10-12(14)16(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyZYMAOCAFJNOTLK-BQYQJAHWSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 53.22
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

1,5-bis(trimethylsilyl)pentane-1,5-dione
CID 10705494
oct-4-ene-2,7-dione
CID 57029717
ethene;hex-3-enediamide
CID 173451408
(Z)-6-oxohept-3-enal
CID 134987885
(2E,5E)-5-methyl-6-trimethylsilylhepta-2,5-dien-1-ol
CID 102291829
trimethylsilylformic acid
CID 19885609
3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one
CID 123268342
(2E)-1-trimethylsilylhexa-2,5-dien-1-one
CID 11126675
(Z)-5-aminopent-3-enoic acid;hydrochloride
CID 51051211
3,4-dioxohexanedial
CID 123634764
methoxymethyl (E)-6-oxohept-3-enoate
CID 153279843
ethyl hept-3-enoate
CID 533698

Frequently Asked Questions

What is the IUPAC name of (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione?
The IUPAC name of (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione (CID 10587207) is (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione.
What is the SMILES notation for (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione?
The canonical SMILES for (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione is C[Si](C)(C)C(=O)C/C=C/CC(=O)[Si](C)(C)C.
What is the InChIKey of (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione?
The InChIKey is ZYMAOCAFJNOTLK-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O2Si2/c1-15(2,3)11(13)9-7-8-10-12(14)16(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione?
(E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione has a molecular weight of 256.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,6-bis(trimethylsilyl)hex-3-ene-1,6-dione is sourced from PubChem (CID 10587207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).