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

C19H40O3Si — CID 46895477

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
SMILESCCCCCCCCC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si/c1-8-9-10-11-12-13-14-15-17(16-18(20)21-5)22-23(6,7)19(2,3)4/h17H,8-16H2,1-7H3/t17-/m1/s1
InChIKeyTVNMNDKWJIYIAP-QGZVFWFLSA-N
MW344.61 g/mol
LogP6.08
Rot. Bonds12

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

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate (PubChem CID 46895477) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
PubChem CID46895477
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
SMILESCCCCCCCCC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si/c1-8-9-10-11-12-13-14-15-17(16-18(20)21-5)22-23(6,7)19(2,3)4/h17H,8-16H2,1-7H3/t17-/m1/s1
InChIKeyTVNMNDKWJIYIAP-QGZVFWFLSA-N
XLogP6.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 56.08
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]oxydodecanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate (CID 46895477) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate is CCCCCCCCC[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]oxydodecanoate?
The InChIKey is TVNMNDKWJIYIAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-8-9-10-11-12-13-14-15-17(16-18(20)21-5)22-23(6,7)19(2,3)4/h17H,8-16H2,1-7H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate has a molecular weight of 344.61 g/mol, XLogP of 6.08, 12 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]oxydodecanoate is sourced from PubChem (CID 46895477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).