5,8-dimethyl-1-trimethylsilylnon-7-en-3-one

C14H28OSi — CID 100921795

IUPAC5,8-dimethyl-1-trimethylsilylnon-7-en-3-one
SMILESCC(C)=CCC(C)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-12(2)7-8-13(3)11-14(15)9-10-16(4,5)6/h7,13H,8-11H2,1-6H3
InChIKeyFBIJLAREOCJAFL-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.67
Rot. Bonds7

About 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one

5,8-dimethyl-1-trimethylsilylnon-7-en-3-one (PubChem CID 100921795) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one.

Molecular Properties

Compound Name5,8-dimethyl-1-trimethylsilylnon-7-en-3-one
PubChem CID100921795
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name5,8-dimethyl-1-trimethylsilylnon-7-en-3-one
SMILESCC(C)=CCC(C)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-12(2)7-8-13(3)11-14(15)9-10-16(4,5)6/h7,13H,8-11H2,1-6H3
InChIKeyFBIJLAREOCJAFL-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.67
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'}

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Related Compounds

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CID 138968115
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
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2,5-dimethylhept-2-ene;ethane
CID 144650208
trimethyl(4-methylpent-3-enyl)silane
CID 12845805
(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one
CID 11298818
ethyl(dimethyl)silane;1-trimethylsilylpentan-3-one
CID 161255717
(5R)-2,5,8-trimethylnon-7-en-4-one
CID 15382477
5,8-dimethylnon-7-en-4-one
CID 118393642
3,5,8-trimethylnona-1,7-diene
CID 123488814
4-methyloct-6-en-2-one
CID 54170853
3,7,10-trimethylundeca-2,4,9-trienoic acid
CID 54072239
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one?
The IUPAC name of 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one (CID 100921795) is 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one.
What is the SMILES notation for 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one?
The canonical SMILES for 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one is CC(C)=CCC(C)CC(=O)CC[Si](C)(C)C.
What is the InChIKey of 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one?
The InChIKey is FBIJLAREOCJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-12(2)7-8-13(3)11-14(15)9-10-16(4,5)6/h7,13H,8-11H2,1-6H3.
What are the key properties of 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one?
5,8-dimethyl-1-trimethylsilylnon-7-en-3-one has a molecular weight of 240.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1-trimethylsilylnon-7-en-3-one is sourced from PubChem (CID 100921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).