methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate

C13H24O3Si — CID 101362697

IUPACmethyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)C1CCC(O[Si](C)(C)C)=C1C
InChIInChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3
InChIKeyRUINVYDSAUYBPP-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate

methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate (PubChem CID 101362697) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
PubChem CID101362697
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)C1CCC(O[Si](C)(C)C)=C1C
InChIInChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3
InChIKeyRUINVYDSAUYBPP-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate?
The IUPAC name of methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate (CID 101362697) is methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate is COC(=O)C(C)C1CCC(O[Si](C)(C)C)=C1C.
What is the InChIKey of methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate?
The InChIKey is RUINVYDSAUYBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3.
What are the key properties of methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate?
methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate has a molecular weight of 256.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate is sourced from PubChem (CID 101362697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).