ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate

C14H22O4 — CID 88990039

IUPACethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate
SMILESC=CCC(CC=C)(COC(=O)CC)C(=O)OCC
InChIInChI=1S/C14H22O4/c1-5-9-14(10-6-2,13(16)17-8-4)11-18-12(15)7-3/h5-6H,1-2,7-11H2,3-4H3
InChIKeyXXYRWMCTHSIAOA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds9

About ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate

ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate (PubChem CID 88990039) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate
PubChem CID88990039
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate
SMILESC=CCC(CC=C)(COC(=O)CC)C(=O)OCC
InChIInChI=1S/C14H22O4/c1-5-9-14(10-6-2,13(16)17-8-4)11-18-12(15)7-3/h5-6H,1-2,7-11H2,3-4H3
InChIKeyXXYRWMCTHSIAOA-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate?
The IUPAC name of ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate (CID 88990039) is ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate?
The canonical SMILES for ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate is C=CCC(CC=C)(COC(=O)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate?
The InChIKey is XXYRWMCTHSIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-9-14(10-6-2,13(16)17-8-4)11-18-12(15)7-3/h5-6H,1-2,7-11H2,3-4H3.
What are the key properties of ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate?
ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate has a molecular weight of 254.33 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 88990039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).