ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate

C19H36O6Si — CID 11417867

IUPACethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
SMILESC=C(C[C@@H]1OC(CC(=O)OCC)(OCC)O[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si/c1-10-21-17(20)13-19(22-11-2)23-15(4)16(24-19)12-14(3)25-26(8,9)18(5,6)7/h15-16H,3,10-13H2,1-2,4-9H3/t15-,16-,19?/m0/s1
InChIKeyUXLZWSFXHPEGRH-NRAVZPKASA-N
MW388.58 g/mol
LogP4.36
Rot. Bonds9

About ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate

ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate (PubChem CID 11417867) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
PubChem CID11417867
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Nameethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
SMILESC=C(C[C@@H]1OC(CC(=O)OCC)(OCC)O[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si/c1-10-21-17(20)13-19(22-11-2)23-15(4)16(24-19)12-14(3)25-26(8,9)18(5,6)7/h15-16H,3,10-13H2,1-2,4-9H3/t15-,16-,19?/m0/s1
InChIKeyUXLZWSFXHPEGRH-NRAVZPKASA-N
XLogP4.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 10785649
[(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] acetate
CID 11222860
[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 11453140
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11494530
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71474718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate (CID 11417867) is ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate is C=C(C[C@@H]1OC(CC(=O)OCC)(OCC)O[C@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate?
The InChIKey is UXLZWSFXHPEGRH-NRAVZPKASA-N. The full InChI is InChI=1S/C19H36O6Si/c1-10-21-17(20)13-19(22-11-2)23-15(4)16(24-19)12-14(3)25-26(8,9)18(5,6)7/h15-16H,3,10-13H2,1-2,4-9H3/t15-,16-,19?/m0/s1.
What are the key properties of ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate?
ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate has a molecular weight of 388.58 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate is sourced from PubChem (CID 11417867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).