2-trimethylsilylundecan-3-one

C14H30OSi — CID 13048489

IUPAC2-trimethylsilylundecan-3-one
SMILESCCCCCCCCC(=O)C(C)[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-6-7-8-9-10-11-12-14(15)13(2)16(3,4)5/h13H,6-12H2,1-5H3
InChIKeyVCABHKVGGSXYPF-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds9

About 2-trimethylsilylundecan-3-one

2-trimethylsilylundecan-3-one (PubChem CID 13048489) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 2-trimethylsilylundecan-3-one.

Molecular Properties

Compound Name2-trimethylsilylundecan-3-one
PubChem CID13048489
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name2-trimethylsilylundecan-3-one
SMILESCCCCCCCCC(=O)C(C)[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-6-7-8-9-10-11-12-14(15)13(2)16(3,4)5/h13H,6-12H2,1-5H3
InChIKeyVCABHKVGGSXYPF-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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

2-trimethylsilyloctan-3-one
CID 13048487
2-chloroheptadecan-3-one
CID 88651520
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
2-hydroxyicosan-3-one
CID 57023276
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
[(2R)-3-oxooctadecan-2-yl]azanium chloride
CID 158532608
9-silylheptadecane-8,10-dione
CID 175052946
2-amino-3-methyldodecan-4-one
CID 116612115
9-chlorooctadecan-8-one
CID 54543005
2-methyl-3-oxooctadecanamide
CID 141179225

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylundecan-3-one?
The IUPAC name of 2-trimethylsilylundecan-3-one (CID 13048489) is 2-trimethylsilylundecan-3-one.
What is the SMILES notation for 2-trimethylsilylundecan-3-one?
The canonical SMILES for 2-trimethylsilylundecan-3-one is CCCCCCCCC(=O)C(C)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylundecan-3-one?
The InChIKey is VCABHKVGGSXYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-6-7-8-9-10-11-12-14(15)13(2)16(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2-trimethylsilylundecan-3-one?
2-trimethylsilylundecan-3-one has a molecular weight of 242.48 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylundecan-3-one is sourced from PubChem (CID 13048489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).