(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one

C14H26OSi — CID 100919337

IUPAC(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
SMILESCC(C)=CC(=O)CC(C)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-12(2)10-14(15)11-13(3)8-7-9-16(4,5)6/h7-8,10,13H,9,11H2,1-6H3/b8-7+
InChIKeyYLCKUZLNJBIUCF-BQYQJAHWSA-N
MW238.45 g/mol
LogP4.44
Rot. Bonds6

About (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one

(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one (PubChem CID 100919337) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one.

Molecular Properties

Compound Name(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
PubChem CID100919337
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
SMILESCC(C)=CC(=O)CC(C)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-12(2)10-14(15)11-13(3)8-7-9-16(4,5)6/h7-8,10,13H,9,11H2,1-6H3/b8-7+
InChIKeyYLCKUZLNJBIUCF-BQYQJAHWSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tagetone, (E)-
CID 5368938
Tagetone, (Z)-
CID 5368956
2,6-Dimethylocta-5,7-dien-4-one
CID 91103
3-Isopropyl-2-methyl-2,5-heptadien-4-one
CID 6365734
2,6-Dimethyl-2-hepten-4-one
CID 27906
(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one
CID 11658624
5-Nonen-4-one, 2,6,8-trimethyl-, (E)-
CID 71397229
2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one
CID 3018503
2,6,8-Trimethyl-non-5-en-4-one
CID 88791273
(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one
CID 12935884
(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
CID 15001359
2,6-Dimethyl-2,7-octadien-4-one
CID 15596210

Frequently Asked Questions

What is the IUPAC name of (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The IUPAC name of (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one (CID 100919337) is (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one.
What is the SMILES notation for (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The canonical SMILES for (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one is CC(C)=CC(=O)CC(C)/C=C/C[Si](C)(C)C.
What is the InChIKey of (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The InChIKey is YLCKUZLNJBIUCF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26OSi/c1-12(2)10-14(15)11-13(3)8-7-9-16(4,5)6/h7-8,10,13H,9,11H2,1-6H3/b8-7+.
What are the key properties of (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
(7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one has a molecular weight of 238.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2,6-dimethyl-9-trimethylsilylnona-2,7-dien-4-one is sourced from PubChem (CID 100919337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).