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

C23H38 — CID 173133172

IUPAC(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)C
InChIInChI=1S/C23H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h5-6,8-9,11-12,14-15,17-18,23H,4,7,10,13,16,19-22H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyKHGNKRMOBFJNCM-AAQCHOMXSA-N
MW314.56 g/mol
LogP7.95
Rot. Bonds14

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

(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene (PubChem CID 173133172) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
PubChem CID173133172
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)C
InChIInChI=1S/C23H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h5-6,8-9,11-12,14-15,17-18,23H,4,7,10,13,16,19-22H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyKHGNKRMOBFJNCM-AAQCHOMXSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.95
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)-21-methyldocosa-3,6,9,12,15-pentaene with MolForge

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Related Compounds

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CID 544769
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(Z)-2,15-dimethylhexadec-8-ene
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(E)-2,15-dimethylhexadec-8-ene
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(E)-2,12-dimethyltridec-6-ene
CID 176630963
(2Z,5Z)-12-methyltrideca-2,5-diene
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(Z)-11-methyldodec-5-ene
CID 159147265
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
2-methyloctadeca-9,12,15-trien-1-ol
CID 91232731
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene (CID 173133172) is (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)C.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene?
The InChIKey is KHGNKRMOBFJNCM-AAQCHOMXSA-N. The full InChI is InChI=1S/C23H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h5-6,8-9,11-12,14-15,17-18,23H,4,7,10,13,16,19-22H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene?
(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene has a molecular weight of 314.56 g/mol, XLogP of 7.95, 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)-21-methyldocosa-3,6,9,12,15-pentaene is sourced from PubChem (CID 173133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).