ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate

C20H32O4Si — CID 10690160

IUPACethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C(C2=CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)C1
InChIInChI=1S/C20H32O4Si/c1-7-23-19(22)12-14-10-17(18(21)11-14)15-8-9-16(13-15)24-25(5,6)20(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyBBKFNSTXQRQYQU-GOEBONIOSA-N
MW364.56 g/mol
LogP4.57
Rot. Bonds6

About ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate

ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate (PubChem CID 10690160) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate
PubChem CID10690160
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Nameethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C(C2=CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)C1
InChIInChI=1S/C20H32O4Si/c1-7-23-19(22)12-14-10-17(18(21)11-14)15-8-9-16(13-15)24-25(5,6)20(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyBBKFNSTXQRQYQU-GOEBONIOSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate (CID 10690160) is ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate is CCOC(=O)C[C@H]1C=C(C2=CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)C1.
What is the InChIKey of ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate?
The InChIKey is BBKFNSTXQRQYQU-GOEBONIOSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-7-23-19(22)12-14-10-17(18(21)11-14)15-8-9-16(13-15)24-25(5,6)20(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+/m0/s1.
What are the key properties of ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate?
ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate has a molecular weight of 364.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4-oxocyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 10690160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).