ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate

C18H28O5Si — CID 13036808

IUPACethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C\CC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H28O5Si/c1-5-22-18(21)16(19)11-9-7-6-8-10-14-12-15(13-17(14)20)23-24(2,3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3/b8-6-
InChIKeyIITXFKPGUOGUDV-VURMDHGXSA-N
MW352.50 g/mol
LogP3.35
Rot. Bonds10

About ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate

ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate (PubChem CID 13036808) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate
PubChem CID13036808
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Nameethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C\CC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H28O5Si/c1-5-22-18(21)16(19)11-9-7-6-8-10-14-12-15(13-17(14)20)23-24(2,3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3/b8-6-
InChIKeyIITXFKPGUOGUDV-VURMDHGXSA-N
XLogP3.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate?
The IUPAC name of ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate (CID 13036808) is ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate.
What is the SMILES notation for ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate?
The canonical SMILES for ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate is CCOC(=O)C(=O)CCC/C=C\CC1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate?
The InChIKey is IITXFKPGUOGUDV-VURMDHGXSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-5-22-18(21)16(19)11-9-7-6-8-10-14-12-15(13-17(14)20)23-24(2,3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3/b8-6-.
What are the key properties of ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate?
ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate has a molecular weight of 352.50 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-oxo-8-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)oct-6-enoate is sourced from PubChem (CID 13036808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).