2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate

C13H24O5 — CID 20669728

IUPAC2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate
SMILESCCC(C)(CC(C)OC(C)=O)C(=O)OCCOC
InChIInChI=1S/C13H24O5/c1-6-13(4,9-10(2)18-11(3)14)12(15)17-8-7-16-5/h10H,6-9H2,1-5H3
InChIKeyMKKYKVHMPDMHDW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.93
Rot. Bonds8

About 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate

2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate (PubChem CID 20669728) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate
PubChem CID20669728
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate
SMILESCCC(C)(CC(C)OC(C)=O)C(=O)OCCOC
InChIInChI=1S/C13H24O5/c1-6-13(4,9-10(2)18-11(3)14)12(15)17-8-7-16-5/h10H,6-9H2,1-5H3
InChIKeyMKKYKVHMPDMHDW-UHFFFAOYSA-N
XLogP1.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate?
The IUPAC name of 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate (CID 20669728) is 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate.
What is the SMILES notation for 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate?
The canonical SMILES for 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate is CCC(C)(CC(C)OC(C)=O)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate?
The InChIKey is MKKYKVHMPDMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-6-13(4,9-10(2)18-11(3)14)12(15)17-8-7-16-5/h10H,6-9H2,1-5H3.
What are the key properties of 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate?
2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate has a molecular weight of 260.33 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-acetyloxy-2-ethyl-2-methylpentanoate is sourced from PubChem (CID 20669728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).