(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene

C23H38O — CID 89100561

IUPAC(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC
InChIInChI=1S/C23H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyYWPZNCGYWTUNQZ-AAQCHOMXSA-N
MW330.56 g/mol
LogP7.33
Rot. Bonds16

About (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene

(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene (PubChem CID 89100561) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
PubChem CID89100561
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC
InChIInChI=1S/C23H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyYWPZNCGYWTUNQZ-AAQCHOMXSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene with MolForge

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Related Compounds

(E)-18-ethoxyoctadec-3-ene
CID 6437683
(Z)-7-ethoxyhept-3-ene
CID 89382132
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
15-ethoxypentadec-7-ene
CID 91170991
[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane
CID 59565827
8-ethoxyoct-2-ene
CID 91178347
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene (CID 89100561) is (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene?
The InChIKey is YWPZNCGYWTUNQZ-AAQCHOMXSA-N. The full InChI is InChI=1S/C23H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene?
(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene has a molecular weight of 330.56 g/mol, XLogP of 7.33, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene is sourced from PubChem (CID 89100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).