1-trimethylsilylundecan-3-one

C14H30OSi — CID 13225586

IUPAC1-trimethylsilylundecan-3-one
SMILESCCCCCCCCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-5-6-7-8-9-10-11-14(15)12-13-16(2,3)4/h5-13H2,1-4H3
InChIKeyBJSASJQRRFXZTJ-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds10

About 1-trimethylsilylundecan-3-one

1-trimethylsilylundecan-3-one (PubChem CID 13225586) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 1-trimethylsilylundecan-3-one.

Molecular Properties

Compound Name1-trimethylsilylundecan-3-one
PubChem CID13225586
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name1-trimethylsilylundecan-3-one
SMILESCCCCCCCCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-5-6-7-8-9-10-11-14(15)12-13-16(2,3)4/h5-13H2,1-4H3
InChIKeyBJSASJQRRFXZTJ-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octyl trimethylsilyl ketone
CID 3538356
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339848
4-(Trimethylsilyl)cyclohexanone
CID 4060849
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
(4R,6S)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339847
Undecanoyl-trimethylsilane
CID 13601208
Cyclohexanone, 3-(trimethylsilyl)-
CID 10964964
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1-Trimethylsilyloctan-4-one
CID 60040811
1,1-Dimethylsilacyclotridecan-7-one
CID 554403

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylundecan-3-one?
The IUPAC name of 1-trimethylsilylundecan-3-one (CID 13225586) is 1-trimethylsilylundecan-3-one.
What is the SMILES notation for 1-trimethylsilylundecan-3-one?
The canonical SMILES for 1-trimethylsilylundecan-3-one is CCCCCCCCC(=O)CC[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylundecan-3-one?
The InChIKey is BJSASJQRRFXZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-5-6-7-8-9-10-11-14(15)12-13-16(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-trimethylsilylundecan-3-one?
1-trimethylsilylundecan-3-one has a molecular weight of 242.48 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylundecan-3-one is sourced from PubChem (CID 13225586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).