ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate

C14H22O4 — CID 53381452

IUPACethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate
SMILESC=C=C(CCOC1CCCCO1)CC(=O)OCC
InChIInChI=1S/C14H22O4/c1-3-12(11-13(15)16-4-2)8-10-18-14-7-5-6-9-17-14/h14H,1,4-11H2,2H3
InChIKeyLIGZNKHYLRQEDY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.58
Rot. Bonds7

About ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate

ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate (PubChem CID 53381452) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate.

Molecular Properties

Compound Nameethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate
PubChem CID53381452
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate
SMILESC=C=C(CCOC1CCCCO1)CC(=O)OCC
InChIInChI=1S/C14H22O4/c1-3-12(11-13(15)16-4-2)8-10-18-14-7-5-6-9-17-14/h14H,1,4-11H2,2H3
InChIKeyLIGZNKHYLRQEDY-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate?
The IUPAC name of ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate (CID 53381452) is ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate.
What is the SMILES notation for ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate?
The canonical SMILES for ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate is C=C=C(CCOC1CCCCO1)CC(=O)OCC.
What is the InChIKey of ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate?
The InChIKey is LIGZNKHYLRQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-12(11-13(15)16-4-2)8-10-18-14-7-5-6-9-17-14/h14H,1,4-11H2,2H3.
What are the key properties of ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate?
ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate has a molecular weight of 254.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(oxan-2-yloxy)ethyl]penta-3,4-dienoate is sourced from PubChem (CID 53381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).