ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate

C17H28O4Si — CID 70540621

IUPACethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate
SMILESCCOC(=O)CCCC/C=C\C1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C17H28O4Si/c1-5-20-17(19)11-9-7-6-8-10-14-12-15(13-16(14)18)21-22(2,3)4/h8,10,12,15H,5-7,9,11,13H2,1-4H3/b10-8-
InChIKeyBOTVDWCYPGKCFK-NTMALXAHSA-N
MW324.49 g/mol
LogP3.79
Rot. Bonds9

About ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate

ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate (PubChem CID 70540621) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate.

Molecular Properties

Compound Nameethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate
PubChem CID70540621
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Nameethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate
SMILESCCOC(=O)CCCC/C=C\C1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C17H28O4Si/c1-5-20-17(19)11-9-7-6-8-10-14-12-15(13-16(14)18)21-22(2,3)4/h8,10,12,15H,5-7,9,11,13H2,1-4H3/b10-8-
InChIKeyBOTVDWCYPGKCFK-NTMALXAHSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.79
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 ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate?
The IUPAC name of ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate (CID 70540621) is ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate.
What is the SMILES notation for ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate?
The canonical SMILES for ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate is CCOC(=O)CCCC/C=C\C1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate?
The InChIKey is BOTVDWCYPGKCFK-NTMALXAHSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-5-20-17(19)11-9-7-6-8-10-14-12-15(13-16(14)18)21-22(2,3)4/h8,10,12,15H,5-7,9,11,13H2,1-4H3/b10-8-.
What are the key properties of ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate?
ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate has a molecular weight of 324.49 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-6-enoate is sourced from PubChem (CID 70540621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).