(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene

C21H36 — CID 158472719

IUPAC(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C21H36/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20H,3-4,6,8-10,12,14-16,21H2,1-2H3/b7-5-,13-11-,19-17-,20-18-
InChIKeyHGNWJCQFVCIIOA-MURDYDGNSA-N
MW288.52 g/mol
LogP7.54
Rot. Bonds14

About (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene

(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene (PubChem CID 158472719) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
PubChem CID158472719
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C21H36/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20H,3-4,6,8-10,12,14-16,21H2,1-2H3/b7-5-,13-11-,19-17-,20-18-
InChIKeyHGNWJCQFVCIIOA-MURDYDGNSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
heptadeca-3,6,12-triene
CID 54220025
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene?
The IUPAC name of (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene (CID 158472719) is (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene.
What is the SMILES notation for (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene?
The canonical SMILES for (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC.
What is the InChIKey of (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene?
The InChIKey is HGNWJCQFVCIIOA-MURDYDGNSA-N. The full InChI is InChI=1S/C21H36/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20H,3-4,6,8-10,12,14-16,21H2,1-2H3/b7-5-,13-11-,19-17-,20-18-.
What are the key properties of (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene?
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene has a molecular weight of 288.52 g/mol, XLogP of 7.54, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene is sourced from PubChem (CID 158472719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).