5,5,9-trimethyl-1-trimethylsilyldecan-2-one

C16H34OSi — CID 56989741

IUPAC5,5,9-trimethyl-1-trimethylsilyldecan-2-one
SMILESCC(C)CCCC(C)(C)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-14(2)9-8-11-16(3,4)12-10-15(17)13-18(5,6)7/h14H,8-13H2,1-7H3
InChIKeyPHAWFIJGQAUFOU-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.53
Rot. Bonds9

About 5,5,9-trimethyl-1-trimethylsilyldecan-2-one

5,5,9-trimethyl-1-trimethylsilyldecan-2-one (PubChem CID 56989741) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is 5,5,9-trimethyl-1-trimethylsilyldecan-2-one.

Molecular Properties

Compound Name5,5,9-trimethyl-1-trimethylsilyldecan-2-one
PubChem CID56989741
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name5,5,9-trimethyl-1-trimethylsilyldecan-2-one
SMILESCC(C)CCCC(C)(C)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-14(2)9-8-11-16(3,4)12-10-15(17)13-18(5,6)7/h14H,8-13H2,1-7H3
InChIKeyPHAWFIJGQAUFOU-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
3-Methyl-muscone
CID 101826616
11-Dimethyl-2-nonacosanone
CID 129668384
Tetramethyl-heptadecanone-2
CID 129728370
2-(Trimethylsilylmethyl)cycloheptan-1-one
CID 14085476
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
2,2,13,13-Tetramethylcyclotridecan-1-one
CID 71335060
18,18-Dimethyl-1-trimethylsilylnonadecane-3,15-dione
CID 101809462
4,4-Dimethyltetradecan-3-one
CID 102324428
3,4,4-Trimethylheptadecan-2-one
CID 123145122
6,10,14,15,15-Pentamethyl-2-hexadecanone
CID 129659994

Frequently Asked Questions

What is the IUPAC name of 5,5,9-trimethyl-1-trimethylsilyldecan-2-one?
The IUPAC name of 5,5,9-trimethyl-1-trimethylsilyldecan-2-one (CID 56989741) is 5,5,9-trimethyl-1-trimethylsilyldecan-2-one.
What is the SMILES notation for 5,5,9-trimethyl-1-trimethylsilyldecan-2-one?
The canonical SMILES for 5,5,9-trimethyl-1-trimethylsilyldecan-2-one is CC(C)CCCC(C)(C)CCC(=O)C[Si](C)(C)C.
What is the InChIKey of 5,5,9-trimethyl-1-trimethylsilyldecan-2-one?
The InChIKey is PHAWFIJGQAUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-14(2)9-8-11-16(3,4)12-10-15(17)13-18(5,6)7/h14H,8-13H2,1-7H3.
What are the key properties of 5,5,9-trimethyl-1-trimethylsilyldecan-2-one?
5,5,9-trimethyl-1-trimethylsilyldecan-2-one has a molecular weight of 270.53 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethyl-1-trimethylsilyldecan-2-one is sourced from PubChem (CID 56989741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).