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

C15H24O6 — CID 176880625

IUPAC2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCCOCCOCCOCCOC(=O)C=C
InChIInChI=1S/C15H24O6/c1-3-14(16)6-5-7-18-8-9-19-10-11-20-12-13-21-15(17)4-2/h3-4H,1-2,5-13H2
InChIKeyKSZPFJRIGIODDA-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.30
Rot. Bonds15

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

2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 176880625) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate
PubChem CID176880625
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCCOCCOCCOCCOC(=O)C=C
InChIInChI=1S/C15H24O6/c1-3-14(16)6-5-7-18-8-9-19-10-11-20-12-13-21-15(17)4-2/h3-4H,1-2,5-13H2
InChIKeyKSZPFJRIGIODDA-UHFFFAOYSA-N
XLogP1.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate (CID 176880625) is 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)CCCOCCOCCOCCOC(=O)C=C.
What is the InChIKey of 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is KSZPFJRIGIODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-14(16)6-5-7-18-8-9-19-10-11-20-12-13-21-15(17)4-2/h3-4H,1-2,5-13H2.
What are the key properties of 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 1.30, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 176880625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).