3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one

C16H30O2Si — CID 619322

IUPAC3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C16H30O2Si/c1-5-6-7-8-9-14(17)12-13-10-11-15(18)16(13)19(2,3)4/h14,17H,5-12H2,1-4H3
InChIKeyYQILMUYLRKLBIE-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.24
Rot. Bonds8

About 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one

3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 619322) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID619322
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C16H30O2Si/c1-5-6-7-8-9-14(17)12-13-10-11-15(18)16(13)19(2,3)4/h14,17H,5-12H2,1-4H3
InChIKeyYQILMUYLRKLBIE-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,3-Dimethyl-5-methyl-6-(10-hydroxydecyl)quinone
CID 13025396
1-Cyclopenten-3-one, 1-(2-hydroxyheptyl)-2-trimethylsilyl-
CID 616589
3-(10-Hydroxydecyl)-2-methyl-2-cyclohexen-1-one
CID 10611834
4-[Tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
3-(2-Hydroxytridecyl)-2-methylcyclohex-2-en-1-one
CID 21079423
3-(10-Hydroxyundecyl)-2-methylcyclohex-2-en-1-one
CID 21999133
5-Hydroxy-2,3-dipentylcyclopent-2-en-1-one
CID 69114347
5-[Tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one
CID 69120837
2-(8-Hydroxyoctyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 70971505
2-(7-Hydroxyheptyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 71251023
2-(5-Hydroxypentyl)-3-methylcyclopent-2-en-1-one
CID 121221915
(Z,2S)-2-hydroxy-5-methyl-4-propyltridec-4-en-6-one
CID 141833959

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one (CID 619322) is 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one is CCCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1.
What is the InChIKey of 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is YQILMUYLRKLBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-5-6-7-8-9-14(17)12-13-10-11-15(18)16(13)19(2,3)4/h14,17H,5-12H2,1-4H3.
What are the key properties of 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one?
3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyoctyl)-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 619322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).