ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate

C18H40O4Si2 — CID 10959773

IUPACethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
SMILESCCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-12-20-16(19)13-15(22-24(10,11)18(5,6)7)14-21-23(8,9)17(2,3)4/h15H,12-14H2,1-11H3/t15-/m0/s1
InChIKeyKTBFUQZFPGULPW-HNNXBMFYSA-N
MW376.69 g/mol
LogP5.35
Rot. Bonds8

About ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate

ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate (PubChem CID 10959773) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate.

Molecular Properties

Compound Nameethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
PubChem CID10959773
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Nameethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
SMILESCCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-12-20-16(19)13-15(22-24(10,11)18(5,6)7)14-21-23(8,9)17(2,3)4/h15H,12-14H2,1-11H3/t15-/m0/s1
InChIKeyKTBFUQZFPGULPW-HNNXBMFYSA-N
XLogP5.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate?
The IUPAC name of ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate (CID 10959773) is ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate.
What is the SMILES notation for ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate?
The canonical SMILES for ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate is CCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate?
The InChIKey is KTBFUQZFPGULPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-12-20-16(19)13-15(22-24(10,11)18(5,6)7)14-21-23(8,9)17(2,3)4/h15H,12-14H2,1-11H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate?
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate has a molecular weight of 376.69 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate is sourced from PubChem (CID 10959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).