ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate

C15H28O3Si — CID 102392364

IUPACethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKeyGJBATNDWMKVSNI-STQMWFEESA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds4

About ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate

ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (PubChem CID 102392364) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
PubChem CID102392364
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKeyGJBATNDWMKVSNI-STQMWFEESA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
ethyl (1S,4S)-4-acetyloxy-2-methylcyclopent-2-ene-1-carboxylate
CID 134857069
(2R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 135015935
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
(1S,2R)-2-[1-(tert-Butyldimethylsilyloxy)-cyclopent-3-en-2-yl]ethyl acetate
CID 50942718
4-[3-[Tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
CID 54280335
methyl 2-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 58878678
[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
CID 67853973
2-[5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
CID 75587412
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 139623985
4-[(E)-1-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
CID 140324781

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (CID 102392364) is ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is CCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is GJBATNDWMKVSNI-STQMWFEESA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1.
What are the key properties of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 102392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).