2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate

C14H22O5 — CID 58283064

IUPAC2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOCCOCCOC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-11(2)13(15)5-6-17-7-8-18-9-10-19-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyDDYYGZLLMOMPGK-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.67
Rot. Bonds11

About 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58283064) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID58283064
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOCCOCCOC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-11(2)13(15)5-6-17-7-8-18-9-10-19-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyDDYYGZLLMOMPGK-UHFFFAOYSA-N
XLogP1.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.67
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-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 58283064) is 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)CCOCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is DDYYGZLLMOMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-11(2)13(15)5-6-17-7-8-18-9-10-19-14(16)12(3)4/h1,3,5-10H2,2,4H3.
What are the key properties of 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 270.32 g/mol, XLogP of 1.67, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-3-oxopent-4-enoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58283064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).