ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate

C19H36O4Si — CID 102025367

IUPACethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate
SMILESCCOC(=O)CO[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C19H36O4Si/c1-8-21-19(20)13-22-18-10-9-17(11-18)12-23-24(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11-13H2,1-7H3/t17-,18+/m1/s1
InChIKeyMIRWPIRHTAFUBA-MSOLQXFVSA-N
MW356.58 g/mol
LogP4.70
Rot. Bonds10

About ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate

ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate (PubChem CID 102025367) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate
PubChem CID102025367
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nameethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate
SMILESCCOC(=O)CO[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C19H36O4Si/c1-8-21-19(20)13-22-18-10-9-17(11-18)12-23-24(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11-13H2,1-7H3/t17-,18+/m1/s1
InChIKeyMIRWPIRHTAFUBA-MSOLQXFVSA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.70
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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Related Compounds

methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
CID 135029959
methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-undec-2-enyl-2H-furan-5-carboxylate
CID 135029962
tert-butyl (2E,5S,6R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]oxy-6-methylocta-2,7-dienoate
CID 11178539
[(1S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 101633418
[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 10333359
[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] (2E)-hepta-2,6-dienoate
CID 11166128
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 15674821
Methyl 2-(((1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-yl)oxy)acetate
CID 53465922
[(2Z,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] (2E)-hepta-2,6-dienoate
CID 88544731
[(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] hepta-2,6-dienoate
CID 91055270
[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] hepta-2,6-dienoate
CID 123722672
[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 10518215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate?
The IUPAC name of ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate (CID 102025367) is ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate?
The canonical SMILES for ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate is CCOC(=O)CO[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate?
The InChIKey is MIRWPIRHTAFUBA-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-8-21-19(20)13-22-18-10-9-17(11-18)12-23-24(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11-13H2,1-7H3/t17-,18+/m1/s1.
What are the key properties of ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate?
ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate has a molecular weight of 356.58 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl]oxyacetate is sourced from PubChem (CID 102025367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).