(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene

C31H50 — CID 101345792

IUPAC(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESC=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCC=C(C)C
InChIInChI=1S/C31H50/c1-9-31(24-13-17-27(4)5)25-15-23-29(7)19-11-10-18-28(6)21-14-22-30(8)20-12-16-26(2)3/h9,16-19,22,25H,1,10-15,20-21,23-24H2,2-8H3/b28-18+,29-19+,30-22+,31-25+
InChIKeyKPANOGVATNSLAT-BFNTZYCTSA-N
MW422.74 g/mol
LogP10.77
Rot. Bonds16

About (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene

(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene (PubChem CID 101345792) has the molecular formula C31H50 and a molecular weight of 422.74 g/mol. Its IUPAC name is (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
PubChem CID101345792
Molecular FormulaC31H50
Molecular Weight422.74 g/mol
Exact Mass422.39
IUPAC Name(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESC=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCC=C(C)C
InChIInChI=1S/C31H50/c1-9-31(24-13-17-27(4)5)25-15-23-29(7)19-11-10-18-28(6)21-14-22-30(8)20-12-16-26(2)3/h9,16-19,22,25H,1,10-15,20-21,23-24H2,2-8H3/b28-18+,29-19+,30-22+,31-25+
InChIKeyKPANOGVATNSLAT-BFNTZYCTSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 510.77
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene with MolForge

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
CID 123903824
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289

Frequently Asked Questions

What is the IUPAC name of (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The IUPAC name of (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene (CID 101345792) is (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene is C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCC=C(C)C.
What is the InChIKey of (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The InChIKey is KPANOGVATNSLAT-BFNTZYCTSA-N. The full InChI is InChI=1S/C31H50/c1-9-31(24-13-17-27(4)5)25-15-23-29(7)19-11-10-18-28(6)21-14-22-30(8)20-12-16-26(2)3/h9,16-19,22,25H,1,10-15,20-21,23-24H2,2-8H3/b28-18+,29-19+,30-22+,31-25+.
What are the key properties of (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene has a molecular weight of 422.74 g/mol, XLogP of 10.77, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 101345792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).