(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene

C26H42 — CID 140672812

IUPAC(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)(C)C
InChIInChI=1S/C26H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-25H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyMOVOCSOZYMBOAC-WSDBEMKQSA-N
MW354.62 g/mol
LogP8.90
Rot. Bonds14

About (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene

(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene (PubChem CID 140672812) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
PubChem CID140672812
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)(C)C
InChIInChI=1S/C26H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-25H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyMOVOCSOZYMBOAC-WSDBEMKQSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.90
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,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene with MolForge

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Related Compounds

(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
CID 176739727
2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
CID 160564214
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107
(E)-10,10-dimethylundec-5-ene
CID 142794628
heptadeca-3,6,12-triene
CID 54220025
henicosa-3,6-diene
CID 72727393
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
pentadeca-3,6,9,12-tetraene
CID 123748490

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene (CID 140672812) is (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)(C)C.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene?
The InChIKey is MOVOCSOZYMBOAC-WSDBEMKQSA-N. The full InChI is InChI=1S/C26H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-25H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene?
(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene has a molecular weight of 354.62 g/mol, XLogP of 8.90, 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,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene is sourced from PubChem (CID 140672812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).