(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene

C30H52 — CID 21160005

IUPAC(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene
SMILESC=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H52/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h11,13,15,19,21,23,26,28,30H,1,9-10,12,14,16-18,20,22,24H2,2-8H3/b15-11+,23-13+,27-21+,29-19+
InChIKeyWYABICKDPBIOHS-KRFSUBJISA-N
MW412.75 g/mol
LogP10.40
Rot. Bonds17

About (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene

(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene (PubChem CID 21160005) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene
PubChem CID21160005
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Name(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene
SMILESC=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H52/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h11,13,15,19,21,23,26,28,30H,1,9-10,12,14,16-18,20,22,24H2,2-8H3/b15-11+,23-13+,27-21+,29-19+
InChIKeyWYABICKDPBIOHS-KRFSUBJISA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene?
The IUPAC name of (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene (CID 21160005) is (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene.
What is the SMILES notation for (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene?
The canonical SMILES for (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene is C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene?
The InChIKey is WYABICKDPBIOHS-KRFSUBJISA-N. The full InChI is InChI=1S/C30H52/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h11,13,15,19,21,23,26,28,30H,1,9-10,12,14,16-18,20,22,24H2,2-8H3/b15-11+,23-13+,27-21+,29-19+.
What are the key properties of (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene?
(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene has a molecular weight of 412.75 g/mol, XLogP of 10.40, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene is sourced from PubChem (CID 21160005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).