methyl (2R)-2-acetyloxytetracosanoate

C27H52O4 — CID 44575770

IUPACmethyl (2R)-2-acetyloxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC
InChIInChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(29)30-3)31-25(2)28/h26H,4-24H2,1-3H3/t26-/m1/s1
InChIKeyVGISHCKQJSPAIV-AREMUKBSSA-N
MW440.71 g/mol
LogP8.30
Rot. Bonds23

About methyl (2R)-2-acetyloxytetracosanoate

methyl (2R)-2-acetyloxytetracosanoate (PubChem CID 44575770) has the molecular formula C27H52O4 and a molecular weight of 440.71 g/mol. Its IUPAC name is methyl (2R)-2-acetyloxytetracosanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetyloxytetracosanoate
PubChem CID44575770
Molecular FormulaC27H52O4
Molecular Weight440.71 g/mol
Exact Mass440.39
IUPAC Namemethyl (2R)-2-acetyloxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC
InChIInChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(29)30-3)31-25(2)28/h26H,4-24H2,1-3H3/t26-/m1/s1
InChIKeyVGISHCKQJSPAIV-AREMUKBSSA-N
XLogP8.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetyloxytetracosanoate?
The IUPAC name of methyl (2R)-2-acetyloxytetracosanoate (CID 44575770) is methyl (2R)-2-acetyloxytetracosanoate.
What is the SMILES notation for methyl (2R)-2-acetyloxytetracosanoate?
The canonical SMILES for methyl (2R)-2-acetyloxytetracosanoate is CCCCCCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-acetyloxytetracosanoate?
The InChIKey is VGISHCKQJSPAIV-AREMUKBSSA-N. The full InChI is InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(29)30-3)31-25(2)28/h26H,4-24H2,1-3H3/t26-/m1/s1.
What are the key properties of methyl (2R)-2-acetyloxytetracosanoate?
methyl (2R)-2-acetyloxytetracosanoate has a molecular weight of 440.71 g/mol, XLogP of 8.30, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetyloxytetracosanoate is sourced from PubChem (CID 44575770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).