methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate

C15H24O3Si — CID 15371731

IUPACmethyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1C(=O)CCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-18-15(17)14-12(9-7-10-13(14)16)8-5-6-11-19(2,3)4/h12,14H,5,7-10H2,1-4H3
InChIKeyPUSSUKPDGKDPHJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.81
Rot. Bonds3

About methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate

methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate (PubChem CID 15371731) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate
PubChem CID15371731
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Namemethyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1C(=O)CCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-18-15(17)14-12(9-7-10-13(14)16)8-5-6-11-19(2,3)4/h12,14H,5,7-10H2,1-4H3
InChIKeyPUSSUKPDGKDPHJ-UHFFFAOYSA-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 methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate (CID 15371731) is methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate is COC(=O)C1C(=O)CCCC1CCC#C[Si](C)(C)C.
What is the InChIKey of methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate?
The InChIKey is PUSSUKPDGKDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-18-15(17)14-12(9-7-10-13(14)16)8-5-6-11-19(2,3)4/h12,14H,5,7-10H2,1-4H3.
What are the key properties of methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate?
methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-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 methyl 2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 15371731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).