4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

C15H28O5 — CID 91698560

IUPAC4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OCCCC(C)C
InChIInChI=1S/C15H28O5/c1-5-7-13(4)20-15(17)11-18-10-14(16)19-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyUAEMCDKMENKRDO-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.71
Rot. Bonds11

About 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (PubChem CID 91698560) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.

Molecular Properties

Compound Name4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
PubChem CID91698560
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OCCCC(C)C
InChIInChI=1S/C15H28O5/c1-5-7-13(4)20-15(17)11-18-10-14(16)19-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyUAEMCDKMENKRDO-UHFFFAOYSA-N
XLogP2.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.71
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 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The IUPAC name of 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (CID 91698560) is 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.
What is the SMILES notation for 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The canonical SMILES for 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is CCCC(C)OC(=O)COCC(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The InChIKey is UAEMCDKMENKRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-5-7-13(4)20-15(17)11-18-10-14(16)19-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate has a molecular weight of 288.38 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is sourced from PubChem (CID 91698560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).