2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate

C15H24O5 — CID 89346761

IUPAC2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCCOCCOCCOC(=O)C(=C)C
InChIInChI=1S/C15H24O5/c1-12(2)14(16)6-5-7-18-8-9-19-10-11-20-15(17)13(3)4/h1,3,5-11H2,2,4H3
InChIKeyPIWOZZWFQQZTQI-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.06
Rot. Bonds12

About 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 89346761) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID89346761
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCCOCCOCCOC(=O)C(=C)C
InChIInChI=1S/C15H24O5/c1-12(2)14(16)6-5-7-18-8-9-19-10-11-20-15(17)13(3)4/h1,3,5-11H2,2,4H3
InChIKeyPIWOZZWFQQZTQI-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 89346761) is 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)CCCOCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is PIWOZZWFQQZTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-12(2)14(16)6-5-7-18-8-9-19-10-11-20-15(17)13(3)4/h1,3,5-11H2,2,4H3.
What are the key properties of 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 2.06, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89346761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).