prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate

C23H34O2 — CID 154963431

IUPACprop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate
SMILESC=CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC=C
InChIInChI=1S/C23H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h3-4,6-7,9-10,12-13,15-16H,1-2,5,8,11,14,17-22H2/b7-6-,10-9-,13-12-,16-15-
InChIKeyFHABBAVXORIPSV-DOFZRALJSA-N
MW342.52 g/mol
LogP6.64
Rot. Bonds16

About prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate

prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate (PubChem CID 154963431) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate.

Molecular Properties

Compound Nameprop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate
PubChem CID154963431
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Nameprop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate
SMILESC=CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC=C
InChIInChI=1S/C23H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h3-4,6-7,9-10,12-13,15-16H,1-2,5,8,11,14,17-22H2/b7-6-,10-9-,13-12-,16-15-
InChIKeyFHABBAVXORIPSV-DOFZRALJSA-N
XLogP6.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate with MolForge

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Related Compounds

ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
prop-2-enyl docosa-4,7,10,13,16,19-hexaenoate
CID 91333879
prop-2-enyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 87748807
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl pentadecanoate
CID 87531612
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-non-2-enyl] decanoate
CID 88564768
propyl icosa-8,11,14-trienoate
CID 54202296
tricosyl octadeca-9,12-dienoate
CID 162927514

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate?
The IUPAC name of prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate (CID 154963431) is prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate.
What is the SMILES notation for prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate?
The canonical SMILES for prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate is C=CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC=C.
What is the InChIKey of prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate?
The InChIKey is FHABBAVXORIPSV-DOFZRALJSA-N. The full InChI is InChI=1S/C23H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h3-4,6-7,9-10,12-13,15-16H,1-2,5,8,11,14,17-22H2/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate?
prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate has a molecular weight of 342.52 g/mol, XLogP of 6.64, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate is sourced from PubChem (CID 154963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).