methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate

C19H34O4Si — CID 67791415

IUPACmethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate
SMILESCC[Si](CC)(CC)OC1=C(CCCCCCC(=O)OC)C(=O)CC1
InChIInChI=1S/C19H34O4Si/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/h5-15H2,1-4H3
InChIKeyDRMGXTDSEYKDRS-UHFFFAOYSA-N
MW354.56 g/mol
LogP5.14
Rot. Bonds12

About methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate

methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate (PubChem CID 67791415) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate.

Molecular Properties

Compound Namemethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate
PubChem CID67791415
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate
SMILESCC[Si](CC)(CC)OC1=C(CCCCCCC(=O)OC)C(=O)CC1
InChIInChI=1S/C19H34O4Si/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/h5-15H2,1-4H3
InChIKeyDRMGXTDSEYKDRS-UHFFFAOYSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 55.14
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 methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate?
The IUPAC name of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate (CID 67791415) is methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate.
What is the SMILES notation for methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate?
The canonical SMILES for methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate is CC[Si](CC)(CC)OC1=C(CCCCCCC(=O)OC)C(=O)CC1.
What is the InChIKey of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate?
The InChIKey is DRMGXTDSEYKDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/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/h5-15H2,1-4H3.
What are the key properties of methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate?
methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate has a molecular weight of 354.56 g/mol, XLogP of 5.14, 12 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)heptanoate is sourced from PubChem (CID 67791415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).