ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate

C20H34O2Si — CID 135082718

IUPACethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=CCC1
InChIInChI=1S/C20H34O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h9,11,16-18H,8,10,12,15H2,1-7H3/t20-/m0/s1
InChIKeyNJFHVNXCADZLNK-FQEVSTJZSA-N
MW334.58 g/mol
LogP5.50
Rot. Bonds6

About ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate

ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate (PubChem CID 135082718) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate
PubChem CID135082718
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Nameethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=CCC1
InChIInChI=1S/C20H34O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h9,11,16-18H,8,10,12,15H2,1-7H3/t20-/m0/s1
InChIKeyNJFHVNXCADZLNK-FQEVSTJZSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate
CID 11055083
ethyl (4E,8E,12Z,16Z)-12-fluoro-4,8,13,16,19,19-hexamethyl-23-trimethylsilyltricosa-4,8,12,16-tetraen-21-ynoate
CID 10076088
ethyl (4E,8E,12Z,16E)-12-fluoro-4,8,13,16,19,19-hexamethyl-23-trimethylsilyltricosa-4,8,12,16-tetraen-21-ynoate
CID 10098922
ethyl (5S,8E,10E)-5-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
CID 58461639
Methyl 14-methoxy-11,11-dimethyltetradec-8-en-6-ynoate
CID 90743784
ethyl (Z)-4-ethyl-4,8,8-trimethyldec-5-enoate
CID 129190929
Methyl 13-triethylsilyltrideca-6,9-dien-12-ynoate
CID 142709725
methyl (Z)-13-triethylsilyltridec-6-en-9,12-diynoate
CID 142709730
ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate
CID 11217569
ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate
CID 56647394
methyl (2S)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate
CID 132604874
methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate
CID 132604875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate (CID 135082718) is ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate is CCOC(=O)C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=CCC1.
What is the InChIKey of ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate?
The InChIKey is NJFHVNXCADZLNK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h9,11,16-18H,8,10,12,15H2,1-7H3/t20-/m0/s1.
What are the key properties of ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate?
ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate has a molecular weight of 334.58 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 135082718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).