trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate

C15H24O3Si — CID 15371717

IUPACtrans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C)C(=O)CC[C@H]1CCC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-15(14(17)18-2)12(9-10-13(15)16)8-6-7-11-19(3,4)5/h12H,6,8-10H2,1-5H3/t12-,15-/m1/s1
InChIKeyLFYRTEWQKMVNEZ-IUODEOHRSA-N
MW280.44 g/mol
LogP2.81
Rot. Bonds3

About trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate

trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate (PubChem CID 15371717) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
PubChem CID15371717
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Nametrans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C)C(=O)CC[C@H]1CCC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-15(14(17)18-2)12(9-10-13(15)16)8-6-7-11-19(3,4)5/h12H,6,8-10H2,1-5H3/t12-,15-/m1/s1
InChIKeyLFYRTEWQKMVNEZ-IUODEOHRSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate (CID 15371717) is trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate is COC(=O)[C@@]1(C)C(=O)CC[C@H]1CCC#C[Si](C)(C)C.
What is the InChIKey of trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The InChIKey is LFYRTEWQKMVNEZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(14(17)18-2)12(9-10-13(15)16)8-6-7-11-19(3,4)5/h12H,6,8-10H2,1-5H3/t12-,15-/m1/s1.
What are the key properties of trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate has a molecular weight of 280.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 15371717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).