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

C15H28O2Si — CID 616589

IUPAC3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C15H28O2Si/c1-5-6-7-8-13(16)11-12-9-10-14(17)15(12)18(2,3)4/h13,16H,5-11H2,1-4H3
InChIKeyIHNMPTIPPDLUMU-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.85
Rot. Bonds7

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

3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 616589) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID616589
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C15H28O2Si/c1-5-6-7-8-13(16)11-12-9-10-14(17)15(12)18(2,3)4/h13,16H,5-11H2,1-4H3
InChIKeyIHNMPTIPPDLUMU-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one (CID 616589) is 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one is CCCCCC(O)CC1=C([Si](C)(C)C)C(=O)CC1.
What is the InChIKey of 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is IHNMPTIPPDLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-5-6-7-8-13(16)11-12-9-10-14(17)15(12)18(2,3)4/h13,16H,5-11H2,1-4H3.
What are the key properties of 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one?
3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyheptyl)-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 616589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).