[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate

C25H54O4Si2 — CID 134883019

IUPAC[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate
SMILESCCCCC[C@H](O[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/C25H54O4Si2/c1-15-16-17-18-20(28-30(11,12)24(5,6)7)21(19-27-22(26)23(2,3)4)29-31(13,14)25(8,9)10/h20-21H,15-19H2,1-14H3/t20-,21-/m0/s1
InChIKeyQGZHMHGECRGAPU-SFTDATJTSA-N
MW474.88 g/mol
LogP7.94
Rot. Bonds11

About [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate

[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate (PubChem CID 134883019) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate
PubChem CID134883019
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Name[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate
SMILESCCCCC[C@H](O[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/C25H54O4Si2/c1-15-16-17-18-20(28-30(11,12)24(5,6)7)21(19-27-22(26)23(2,3)4)29-31(13,14)25(8,9)10/h20-21H,15-19H2,1-14H3/t20-,21-/m0/s1
InChIKeyQGZHMHGECRGAPU-SFTDATJTSA-N
XLogP7.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate (CID 134883019) is [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate is CCCCC[C@H](O[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,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate?
The InChIKey is QGZHMHGECRGAPU-SFTDATJTSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-15-16-17-18-20(28-30(11,12)24(5,6)7)21(19-27-22(26)23(2,3)4)29-31(13,14)25(8,9)10/h20-21H,15-19H2,1-14H3/t20-,21-/m0/s1.
What are the key properties of [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate?
[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate has a molecular weight of 474.88 g/mol, XLogP of 7.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134883019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).