methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate

C19H34O4Si — CID 22987291

IUPACmethyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
SMILESCOC(=O)CCCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H34O4Si/c1-19(2,3)24(5,6)23-17-14-13-16(20)15(17)11-9-7-8-10-12-18(21)22-4/h7-14H2,1-6H3
InChIKeyCGSLIGZDZFYWOH-UHFFFAOYSA-N
MW354.56 g/mol
LogP5.14
Rot. Bonds9

About methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate

methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate (PubChem CID 22987291) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
PubChem CID22987291
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
SMILESCOC(=O)CCCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H34O4Si/c1-19(2,3)24(5,6)23-17-14-13-16(20)15(17)11-9-7-8-10-12-18(21)22-4/h7-14H2,1-6H3
InChIKeyCGSLIGZDZFYWOH-UHFFFAOYSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate?
The IUPAC name of methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate (CID 22987291) is methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate.
What is the SMILES notation for methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate?
The canonical SMILES for methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate is COC(=O)CCCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate?
The InChIKey is CGSLIGZDZFYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-19(2,3)24(5,6)23-17-14-13-16(20)15(17)11-9-7-8-10-12-18(21)22-4/h7-14H2,1-6H3.
What are the key properties of methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate?
methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate has a molecular weight of 354.56 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate is sourced from PubChem (CID 22987291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).