(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene

C29H46 — CID 14544614

IUPAC(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene
SMILESC=C=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H46/c1-8-9-10-17-26(4)21-14-22-27(5)18-11-12-19-28(6)23-15-24-29(7)20-13-16-25(2)3/h9,16,18-19,21,24H,1,10-15,17,20,22-23H2,2-7H3/b26-21+,27-18+,28-19+,29-24+
InChIKeyJPXBVBHEFLSWTH-LPOFEHKLSA-N
MW394.69 g/mol
LogP9.98
Rot. Bonds15

About (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene

(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene (PubChem CID 14544614) has the molecular formula C29H46 and a molecular weight of 394.69 g/mol. Its IUPAC name is (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene.

Molecular Properties

Compound Name(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene
PubChem CID14544614
Molecular FormulaC29H46
Molecular Weight394.69 g/mol
Exact Mass394.36
IUPAC Name(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene
SMILESC=C=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H46/c1-8-9-10-17-26(4)21-14-22-27(5)18-11-12-19-28(6)23-15-24-29(7)20-13-16-25(2)3/h9,16,18-19,21,24H,1,10-15,17,20,22-23H2,2-7H3/b26-21+,27-18+,28-19+,29-24+
InChIKeyJPXBVBHEFLSWTH-LPOFEHKLSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 59.98
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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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene?
The IUPAC name of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene (CID 14544614) is (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene.
What is the SMILES notation for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene?
The canonical SMILES for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene is C=C=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene?
The InChIKey is JPXBVBHEFLSWTH-LPOFEHKLSA-N. The full InChI is InChI=1S/C29H46/c1-8-9-10-17-26(4)21-14-22-27(5)18-11-12-19-28(6)23-15-24-29(7)20-13-16-25(2)3/h9,16,18-19,21,24H,1,10-15,17,20,22-23H2,2-7H3/b26-21+,27-18+,28-19+,29-24+.
What are the key properties of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene?
(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene has a molecular weight of 394.69 g/mol, XLogP of 9.98, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-1,2,6,10,14,18,22-heptaene is sourced from PubChem (CID 14544614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).