methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate

C19H32O4Si — CID 67792268

IUPACmethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate
SMILESCC[Si](CC)(CC)OC1=C(CCC=CCCC(=O)OC)C(=O)CC1
InChIInChI=1S/C19H32O4Si/c1-5-24(6-2,7-3)23-18-15-14-17(20)16(18)12-10-8-9-11-13-19(21)22-4/h8-9H,5-7,10-15H2,1-4H3
InChIKeyAASAVGSQQWDVCY-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.91
Rot. Bonds11

About methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate

methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate (PubChem CID 67792268) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate.

Molecular Properties

Compound Namemethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate
PubChem CID67792268
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namemethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate
SMILESCC[Si](CC)(CC)OC1=C(CCC=CCCC(=O)OC)C(=O)CC1
InChIInChI=1S/C19H32O4Si/c1-5-24(6-2,7-3)23-18-15-14-17(20)16(18)12-10-8-9-11-13-19(21)22-4/h8-9H,5-7,10-15H2,1-4H3
InChIKeyAASAVGSQQWDVCY-UHFFFAOYSA-N
XLogP4.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate?
The IUPAC name of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate (CID 67792268) is methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate.
What is the SMILES notation for methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate?
The canonical SMILES for methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate is CC[Si](CC)(CC)OC1=C(CCC=CCCC(=O)OC)C(=O)CC1.
What is the InChIKey of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate?
The InChIKey is AASAVGSQQWDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-5-24(6-2,7-3)23-18-15-14-17(20)16(18)12-10-8-9-11-13-19(21)22-4/h8-9H,5-7,10-15H2,1-4H3.
What are the key properties of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate?
methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate has a molecular weight of 352.55 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate is sourced from PubChem (CID 67792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).