2-pent-4-enoyloxyethyl pent-4-enoate

C12H18O4 — CID 23466493

IUPAC2-pent-4-enoyloxyethyl pent-4-enoate
SMILESC=CCCC(=O)OCCOC(=O)CCC=C
InChIInChI=1S/C12H18O4/c1-3-5-7-11(13)15-9-10-16-12(14)8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyZKORETKTFGKMKZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.01
Rot. Bonds9

About 2-pent-4-enoyloxyethyl pent-4-enoate

2-pent-4-enoyloxyethyl pent-4-enoate (PubChem CID 23466493) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-pent-4-enoyloxyethyl pent-4-enoate.

Molecular Properties

Compound Name2-pent-4-enoyloxyethyl pent-4-enoate
PubChem CID23466493
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-pent-4-enoyloxyethyl pent-4-enoate
SMILESC=CCCC(=O)OCCOC(=O)CCC=C
InChIInChI=1S/C12H18O4/c1-3-5-7-11(13)15-9-10-16-12(14)8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyZKORETKTFGKMKZ-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoyloxyethyl pent-4-enoate?
The IUPAC name of 2-pent-4-enoyloxyethyl pent-4-enoate (CID 23466493) is 2-pent-4-enoyloxyethyl pent-4-enoate.
What is the SMILES notation for 2-pent-4-enoyloxyethyl pent-4-enoate?
The canonical SMILES for 2-pent-4-enoyloxyethyl pent-4-enoate is C=CCCC(=O)OCCOC(=O)CCC=C.
What is the InChIKey of 2-pent-4-enoyloxyethyl pent-4-enoate?
The InChIKey is ZKORETKTFGKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-5-7-11(13)15-9-10-16-12(14)8-6-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 2-pent-4-enoyloxyethyl pent-4-enoate?
2-pent-4-enoyloxyethyl pent-4-enoate has a molecular weight of 226.27 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoyloxyethyl pent-4-enoate is sourced from PubChem (CID 23466493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).