2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate

C15H28O4 — CID 4616638

IUPAC2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCC(CC)CCCC
InChIInChI=1S/C15H28O4/c1-4-7-8-14(5-2)13-18-10-9-17-11-12-19-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyXNMJQRPYVCIXGZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.97
Rot. Bonds13

About 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate

2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 4616638) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate
PubChem CID4616638
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCC(CC)CCCC
InChIInChI=1S/C15H28O4/c1-4-7-8-14(5-2)13-18-10-9-17-11-12-19-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyXNMJQRPYVCIXGZ-UHFFFAOYSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethylhexoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate (CID 4616638) is 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCC(CC)CCCC.
What is the InChIKey of 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is XNMJQRPYVCIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-7-8-14(5-2)13-18-10-9-17-11-12-19-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 272.38 g/mol, XLogP of 2.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 4616638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).