2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate

C17H28O3Si — CID 155932254

IUPAC2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate
SMILESC#CCCCC1(C)CCC(=O)C1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H28O3Si/c1-6-7-8-10-17(2)11-9-14(18)15(17)16(19)20-12-13-21(3,4)5/h1,15H,7-13H2,2-5H3
InChIKeyWOPOUGOUQGMMCZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.66
Rot. Bonds7

About 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate

2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate (PubChem CID 155932254) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate
PubChem CID155932254
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate
SMILESC#CCCCC1(C)CCC(=O)C1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H28O3Si/c1-6-7-8-10-17(2)11-9-14(18)15(17)16(19)20-12-13-21(3,4)5/h1,15H,7-13H2,2-5H3
InChIKeyWOPOUGOUQGMMCZ-UHFFFAOYSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate (CID 155932254) is 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate is C#CCCCC1(C)CCC(=O)C1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate?
The InChIKey is WOPOUGOUQGMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-6-7-8-10-17(2)11-9-14(18)15(17)16(19)20-12-13-21(3,4)5/h1,15H,7-13H2,2-5H3.
What are the key properties of 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate?
2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate has a molecular weight of 308.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate is sourced from PubChem (CID 155932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).