ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate

C15H28O3Si — CID 53493946

IUPACethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/t12-,13+/m0/s1
InChIKeySEIOVNXMBBKDER-QWHCGFSZSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds5

About ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate

ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (PubChem CID 53493946) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
PubChem CID53493946
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/t12-,13+/m0/s1
InChIKeySEIOVNXMBBKDER-QWHCGFSZSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 11380222
ethyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-enoate
CID 12170568
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963468
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963469
methyl (5S,6Z,8E)-9-[bis(3-methylbutan-2-yl)boranyl]-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dienoate
CID 44477967
(2R,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-propyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 57326434
methyl (E,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-oxooct-6-enoate
CID 102280765
(3aS,5S,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 134880202
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
methyl (5S,6E,8S,9R,11Z)-9-(1-acetyloxyethyl)-5-[tert-butyl(dimethyl)silyl]oxy-8-(dimethoxymethyl)heptadeca-6,11-dienoate
CID 138979853
(4-Acetoxycyclopent-2-enyl)acetic acid methyl ester
CID 538040

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (CID 53493946) is ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is CCOC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The InChIKey is SEIOVNXMBBKDER-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 53493946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).