(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene

C24H38 — CID 162073402

IUPAC(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C(C)=C/CC
InChIInChI=1S/C24H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,24-22+
InChIKeySSWQLSNGEIJZEF-KTIANBROSA-N
MW326.57 g/mol
LogP8.26
Rot. Bonds14

About (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene

(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene (PubChem CID 162073402) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene
PubChem CID162073402
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C(C)=C/CC
InChIInChI=1S/C24H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,24-22+
InChIKeySSWQLSNGEIJZEF-KTIANBROSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 58.26
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'}

Analyze (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene with MolForge

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Related Compounds

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13-methyldocosa-7,10,13,16,19-pentaen-3-one
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(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
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tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
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methyl 11-methylicosa-5,8,11,14,17-pentaenoate
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tetradeca-5,8,11-trien-1-ol
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(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 90031560
N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
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CID 158915698

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene (CID 162073402) is (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C(C)=C/CC.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene?
The InChIKey is SSWQLSNGEIJZEF-KTIANBROSA-N. The full InChI is InChI=1S/C24H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,24-22+.
What are the key properties of (3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene?
(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene has a molecular weight of 326.57 g/mol, XLogP of 8.26, 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,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene is sourced from PubChem (CID 162073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).