ethene;2-ethylhexyl prop-2-enoate

C13H24O2 — CID 87139751

IUPACethene;2-ethylhexyl prop-2-enoate
SMILESC=C.C=CC(=O)OCC(CC)CCCC
InChIInChI=1S/C11H20O2.C2H4/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h6,10H,3-5,7-9H2,1-2H3;1-2H2
InChIKeyOHIWIBGOISIMFB-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.73
Rot. Bonds7

About ethene;2-ethylhexyl prop-2-enoate

ethene;2-ethylhexyl prop-2-enoate (PubChem CID 87139751) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethene;2-ethylhexyl prop-2-enoate.

Molecular Properties

Compound Nameethene;2-ethylhexyl prop-2-enoate
PubChem CID87139751
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethene;2-ethylhexyl prop-2-enoate
SMILESC=C.C=CC(=O)OCC(CC)CCCC
InChIInChI=1S/C11H20O2.C2H4/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h6,10H,3-5,7-9H2,1-2H3;1-2H2
InChIKeyOHIWIBGOISIMFB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-ethylhexyl prop-2-enoate?
The IUPAC name of ethene;2-ethylhexyl prop-2-enoate (CID 87139751) is ethene;2-ethylhexyl prop-2-enoate.
What is the SMILES notation for ethene;2-ethylhexyl prop-2-enoate?
The canonical SMILES for ethene;2-ethylhexyl prop-2-enoate is C=C.C=CC(=O)OCC(CC)CCCC.
What is the InChIKey of ethene;2-ethylhexyl prop-2-enoate?
The InChIKey is OHIWIBGOISIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C2H4/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h6,10H,3-5,7-9H2,1-2H3;1-2H2.
What are the key properties of ethene;2-ethylhexyl prop-2-enoate?
ethene;2-ethylhexyl prop-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethylhexyl prop-2-enoate is sourced from PubChem (CID 87139751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).