methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate

C21H44O3Si — CID 58160475

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
SMILESCCCCCCCCCCC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O3Si/c1-8-9-10-11-12-13-14-15-16-17-19(18-20(22)23-5)24-25(6,7)21(2,3)4/h19H,8-18H2,1-7H3/t19-/m1/s1
InChIKeyNQKKBVOFFIORGN-LJQANCHMSA-N
MW372.67 g/mol
LogP6.86
Rot. Bonds14

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate (PubChem CID 58160475) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
PubChem CID58160475
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
SMILESCCCCCCCCCCC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O3Si/c1-8-9-10-11-12-13-14-15-16-17-19(18-20(22)23-5)24-25(6,7)21(2,3)4/h19H,8-18H2,1-7H3/t19-/m1/s1
InChIKeyNQKKBVOFFIORGN-LJQANCHMSA-N
XLogP6.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate (CID 58160475) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate is CCCCCCCCCCC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate?
The InChIKey is NQKKBVOFFIORGN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-8-9-10-11-12-13-14-15-16-17-19(18-20(22)23-5)24-25(6,7)21(2,3)4/h19H,8-18H2,1-7H3/t19-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate has a molecular weight of 372.67 g/mol, XLogP of 6.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate is sourced from PubChem (CID 58160475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).