methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate

C13H24O3Si — CID 124827648

IUPACmethyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@H]1CCC(O[Si](C)(C)C)=C1C
InChIInChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3/t10-,11-/m0/s1
InChIKeyRUINVYDSAUYBPP-QWRGUYRKSA-N
MW256.42 g/mol
LogP3.33
Rot. Bonds4

About methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate

methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate (PubChem CID 124827648) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
PubChem CID124827648
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@H]1CCC(O[Si](C)(C)C)=C1C
InChIInChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3/t10-,11-/m0/s1
InChIKeyRUINVYDSAUYBPP-QWRGUYRKSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 70625293
methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate
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methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoate
CID 23529442
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
dimethyl 2-[(1S)-2-oxocycloheptyl]propanedioate
CID 101252354
methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]acetate
CID 86315618
methyl 2-(4,4-difluorocyclohexyl)propanoate
CID 76804780
methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate
CID 140659008
methyl 2-(thiolan-3-yl)propanoate
CID 176838406

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate (CID 124827648) is methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate is COC(=O)[C@@H](C)[C@H]1CCC(O[Si](C)(C)C)=C1C.
What is the InChIKey of methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate?
The InChIKey is RUINVYDSAUYBPP-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-9-11(10(2)13(14)15-3)7-8-12(9)16-17(4,5)6/h10-11H,7-8H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate?
methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate has a molecular weight of 256.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1R)-2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl]propanoate is sourced from PubChem (CID 124827648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).