2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one

C17H30O4Si — CID 12786172

IUPAC2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCOCC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C17H30O4Si/c1-20-13-15(18)10-8-6-5-7-9-14-11-16(12-17(14)19)21-22(2,3)4/h11,16H,5-10,12-13H2,1-4H3
InChIKeyLSGSMZNHUQFKAH-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.66
Rot. Bonds11

About 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one

2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one (PubChem CID 12786172) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one
PubChem CID12786172
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCOCC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C17H30O4Si/c1-20-13-15(18)10-8-6-5-7-9-14-11-16(12-17(14)19)21-22(2,3)4/h11,16H,5-10,12-13H2,1-4H3
InChIKeyLSGSMZNHUQFKAH-UHFFFAOYSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one (CID 12786172) is 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one is COCC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one?
The InChIKey is LSGSMZNHUQFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-20-13-15(18)10-8-6-5-7-9-14-11-16(12-17(14)19)21-22(2,3)4/h11,16H,5-10,12-13H2,1-4H3.
What are the key properties of 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one?
2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one has a molecular weight of 326.51 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-7-oxooctyl)-4-trimethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 12786172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).