[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate

C24H50O5Si2 — CID 135020642

IUPAC[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate
SMILESC=CCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O5Si2/c1-15-16-26-19(18-28-30(11,12)23(5,6)7)20(17-27-21(25)22(2,3)4)29-31(13,14)24(8,9)10/h15,19-20H,1,16-18H2,2-14H3/t19-,20+/m1/s1
InChIKeySVGVIFXNBQNTIC-UXHICEINSA-N
MW474.83 g/mol
LogP6.56
Rot. Bonds11

About [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate

[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate (PubChem CID 135020642) has the molecular formula C24H50O5Si2 and a molecular weight of 474.83 g/mol. Its IUPAC name is [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate
PubChem CID135020642
Molecular FormulaC24H50O5Si2
Molecular Weight474.83 g/mol
Exact Mass474.32
IUPAC Name[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate
SMILESC=CCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O5Si2/c1-15-16-26-19(18-28-30(11,12)23(5,6)7)20(17-27-21(25)22(2,3)4)29-31(13,14)24(8,9)10/h15,19-20H,1,16-18H2,2-14H3/t19-,20+/m1/s1
InChIKeySVGVIFXNBQNTIC-UXHICEINSA-N
XLogP6.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.83
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate (CID 135020642) is [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate is C=CCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate?
The InChIKey is SVGVIFXNBQNTIC-UXHICEINSA-N. The full InChI is InChI=1S/C24H50O5Si2/c1-15-16-26-19(18-28-30(11,12)23(5,6)7)20(17-27-21(25)22(2,3)4)29-31(13,14)24(8,9)10/h15,19-20H,1,16-18H2,2-14H3/t19-,20+/m1/s1.
What are the key properties of [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate?
[(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate has a molecular weight of 474.83 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enoxybutyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 135020642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).