methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate

C16H26O3Si — CID 162402045

IUPACmethyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(=O)CC[C@]1(C)CCCC#C[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-16(10-7-6-8-12-20(3,4)5)11-9-13(17)14(16)15(18)19-2/h14H,6-7,9-11H2,1-5H3/t14?,16-/m0/s1
InChIKeyVMPIRRRKBAGIHJ-WMCAAGNKSA-N
MW294.47 g/mol
LogP3.20
Rot. Bonds4

About methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate

methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate (PubChem CID 162402045) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
PubChem CID162402045
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namemethyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(=O)CC[C@]1(C)CCCC#C[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-16(10-7-6-8-12-20(3,4)5)11-9-13(17)14(16)15(18)19-2/h14H,6-7,9-11H2,1-5H3/t14?,16-/m0/s1
InChIKeyVMPIRRRKBAGIHJ-WMCAAGNKSA-N
XLogP3.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.20
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 methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate (CID 162402045) is methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate is COC(=O)C1C(=O)CC[C@]1(C)CCCC#C[Si](C)(C)C.
What is the InChIKey of methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The InChIKey is VMPIRRRKBAGIHJ-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(10-7-6-8-12-20(3,4)5)11-9-13(17)14(16)15(18)19-2/h14H,6-7,9-11H2,1-5H3/t14?,16-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate has a molecular weight of 294.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 162402045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).