methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate

C16H26O4Si — CID 53381235

IUPACmethyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=C1C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-11(10-20-21(6,7)16(2,3)4)13-8-12(17)9-14(13)15(18)19-5/h9,13H,1,8,10H2,2-7H3/t13-/m0/s1
InChIKeyBGBRIFXWILSEOR-ZDUSSCGKSA-N
MW310.47 g/mol
LogP3.25
Rot. Bonds5

About methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate

methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate (PubChem CID 53381235) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate
PubChem CID53381235
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=C1C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-11(10-20-21(6,7)16(2,3)4)13-8-12(17)9-14(13)15(18)19-5/h9,13H,1,8,10H2,2-7H3/t13-/m0/s1
InChIKeyBGBRIFXWILSEOR-ZDUSSCGKSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate?
The IUPAC name of methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate (CID 53381235) is methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate is C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=C1C(=O)OC.
What is the InChIKey of methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate?
The InChIKey is BGBRIFXWILSEOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-11(10-20-21(6,7)16(2,3)4)13-8-12(17)9-14(13)15(18)19-5/h9,13H,1,8,10H2,2-7H3/t13-/m0/s1.
What are the key properties of methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate?
methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 53381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).