[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate

C23H34O5Si — CID 25210043

IUPAC[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate
SMILESC=CCOC/C=C\[C@@H](OC(C)=O)[C@@H]1O[C@@H]1C(C#CC#CC)O[Si](CC)(CC)CC
InChIInChI=1S/C23H34O5Si/c1-7-12-13-15-21(28-29(9-3,10-4)11-5)23-22(27-23)20(26-19(6)24)16-14-18-25-17-8-2/h8,14,16,20-23H,2,9-11,17-18H2,1,3-6H3/b16-14-/t20-,21?,22+,23-/m1/s1
InChIKeyZRRWTYRDNOJLJB-KTPXPFAQSA-N
MW418.61 g/mol
LogP3.86
Rot. Bonds13

About [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate

[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate (PubChem CID 25210043) has the molecular formula C23H34O5Si and a molecular weight of 418.61 g/mol. Its IUPAC name is [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate.

Molecular Properties

Compound Name[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate
PubChem CID25210043
Molecular FormulaC23H34O5Si
Molecular Weight418.61 g/mol
Exact Mass418.22
IUPAC Name[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate
SMILESC=CCOC/C=C\[C@@H](OC(C)=O)[C@@H]1O[C@@H]1C(C#CC#CC)O[Si](CC)(CC)CC
InChIInChI=1S/C23H34O5Si/c1-7-12-13-15-21(28-29(9-3,10-4)11-5)23-22(27-23)20(26-19(6)24)16-14-18-25-17-8-2/h8,14,16,20-23H,2,9-11,17-18H2,1,3-6H3/b16-14-/t20-,21?,22+,23-/m1/s1
InChIKeyZRRWTYRDNOJLJB-KTPXPFAQSA-N
XLogP3.86
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] 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

[(2R,3S,6S)-3-acetyloxy-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11350347
[(1S,2R,5S,6S)-4-(3-methylbut-3-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 25210044
[(1S,2R,5R,6S)-4-(3-methylbut-3-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 25210045
[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101256996
[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]but-2-enyl] acetate
CID 101513449
[(E)-3-[(2S,3R)-3-[(2R,3S)-3-[7-[tert-butyl(dimethyl)silyl]oxyhepta-1,3,5-triynyl]oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
CID 134844653
[(1S,2R,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 135060833
[(1S,2R,6S)-4-(3-methylbut-3-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 135063513
[(1S,2R,5R,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 135064821
[(1S,2R,5S,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 135067651
[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate
CID 135074338
[(Z,1R)-1-[(2S,3S)-3-(9-methyl-1-triethylsilyloxydec-8-en-2,4-diynyl)oxiran-2-yl]-4-prop-2-enoxybut-2-enyl] acetate
CID 135074596

Frequently Asked Questions

What is the IUPAC name of [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate?
The IUPAC name of [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate (CID 25210043) is [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate.
What is the SMILES notation for [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate?
The canonical SMILES for [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate is C=CCOC/C=C\[C@@H](OC(C)=O)[C@@H]1O[C@@H]1C(C#CC#CC)O[Si](CC)(CC)CC.
What is the InChIKey of [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate?
The InChIKey is ZRRWTYRDNOJLJB-KTPXPFAQSA-N. The full InChI is InChI=1S/C23H34O5Si/c1-7-12-13-15-21(28-29(9-3,10-4)11-5)23-22(27-23)20(26-19(6)24)16-14-18-25-17-8-2/h8,14,16,20-23H,2,9-11,17-18H2,1,3-6H3/b16-14-/t20-,21?,22+,23-/m1/s1.
What are the key properties of [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate?
[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate has a molecular weight of 418.61 g/mol, XLogP of 3.86, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate is sourced from PubChem (CID 25210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).