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

C20H36O3Si2 — CID 155932455

IUPAC2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
SMILESCC1(CCCC#C[Si](C)(C)C)CCC(=O)C1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-20(12-9-8-10-15-24(2,3)4)13-11-17(21)18(20)19(22)23-14-16-25(5,6)7/h18H,8-9,11-14,16H2,1-7H3
InChIKeyYBKAHTXODDCFFZ-UHFFFAOYSA-N
MW380.68 g/mol
LogP4.90
Rot. Bonds7

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

2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate (PubChem CID 155932455) has the molecular formula C20H36O3Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
PubChem CID155932455
Molecular FormulaC20H36O3Si2
Molecular Weight380.68 g/mol
Exact Mass380.22
IUPAC Name2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
SMILESCC1(CCCC#C[Si](C)(C)C)CCC(=O)C1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-20(12-9-8-10-15-24(2,3)4)13-11-17(21)18(20)19(22)23-14-16-25(5,6)7/h18H,8-9,11-14,16H2,1-7H3
InChIKeyYBKAHTXODDCFFZ-UHFFFAOYSA-N
XLogP4.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 54.90
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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Related Compounds

methyl (2R)-3,3-dimethyl-5-oxo-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
CID 134966165
2-Trimethylsilylethyl 2-methyl-5-oxo-2-pent-4-ynylcyclopentane-1-carboxylate
CID 155932254
methyl (4S)-4-methyl-2-oxo-4-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
CID 162401893
methyl (2S)-2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate
CID 162402045
trans-methyl (1R,5R)-1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
CID 15371717
Methyl 2-acetyl-9-trimethylsilyl-3-(4-trimethylsilylbut-3-ynyl)-6-(2-trimethylsilylethynyl)non-8-ynoate
CID 10255505
cis-diethyl (3S,4R)-4-ethyl-2-methyl-3-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10548102
trans-methyl (1S,5R)-1-(bromomethyl)-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
CID 15371715
Ethyl 1-methyl-2-oxo-5-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
CID 101911174
diethyl 2-[(2S,3R)-3-(2-trimethylsilylethynyl)heptan-2-yl]propanedioate
CID 102303647
trans-ethyl (1R,6S)-1-methyl-2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohexane-1-carboxylate
CID 102318203
diethyl 2-[(2S,3R)-3-(2-trimethylsilylethynyl)-7-tri(propan-2-yl)silylhept-6-yn-2-yl]propanedioate
CID 102384091

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate (CID 155932455) is 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate is CC1(CCCC#C[Si](C)(C)C)CCC(=O)C1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
The InChIKey is YBKAHTXODDCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si2/c1-20(12-9-8-10-15-24(2,3)4)13-11-17(21)18(20)19(22)23-14-16-25(5,6)7/h18H,8-9,11-14,16H2,1-7H3.
What are the key properties of 2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate?
2-trimethylsilylethyl 2-methyl-5-oxo-2-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate has a molecular weight of 380.68 g/mol, XLogP of 4.90, 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-(5-trimethylsilylpent-4-ynyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 155932455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).