methyl 2-trimethylsilyloxytricosanoate

C27H56O3Si — CID 524481

IUPACmethyl 2-trimethylsilyloxytricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C27H56O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(28)29-2)30-31(3,4)5/h26H,6-25H2,1-5H3
InChIKeyGRADXVJUAVCNHF-UHFFFAOYSA-N
MW456.83 g/mol
LogP9.20
Rot. Bonds23

About methyl 2-trimethylsilyloxytricosanoate

methyl 2-trimethylsilyloxytricosanoate (PubChem CID 524481) has the molecular formula C27H56O3Si and a molecular weight of 456.83 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxytricosanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxytricosanoate
PubChem CID524481
Molecular FormulaC27H56O3Si
Molecular Weight456.83 g/mol
Exact Mass456.40
IUPAC Namemethyl 2-trimethylsilyloxytricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C27H56O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(28)29-2)30-31(3,4)5/h26H,6-25H2,1-5H3
InChIKeyGRADXVJUAVCNHF-UHFFFAOYSA-N
XLogP9.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 59.20
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 2-trimethylsilyloxytricosanoate?
The IUPAC name of methyl 2-trimethylsilyloxytricosanoate (CID 524481) is methyl 2-trimethylsilyloxytricosanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxytricosanoate?
The canonical SMILES for methyl 2-trimethylsilyloxytricosanoate is CCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxytricosanoate?
The InChIKey is GRADXVJUAVCNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(28)29-2)30-31(3,4)5/h26H,6-25H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxytricosanoate?
methyl 2-trimethylsilyloxytricosanoate has a molecular weight of 456.83 g/mol, XLogP of 9.20, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxytricosanoate is sourced from PubChem (CID 524481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).