(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene

C25H40 — CID 144528362

IUPAC(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene
SMILESC/C=C/CC/C=C/C/C(C)=C(C)/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H40/c1-8-9-10-11-12-13-19-23(5)25(7)24(6)20-15-18-22(4)17-14-16-21(2)3/h8-9,12-13,16,18,20H,10-11,14-15,17,19H2,1-7H3/b9-8+,13-12+,22-18+,24-20+,25-23+
InChIKeySOWZQBIHHHPTMJ-WVTMZWPFSA-N
MW340.60 g/mol
LogP8.65
Rot. Bonds11

About (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene

(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene (PubChem CID 144528362) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene.

Molecular Properties

Compound Name(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene
PubChem CID144528362
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene
SMILESC/C=C/CC/C=C/C/C(C)=C(C)/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H40/c1-8-9-10-11-12-13-19-23(5)25(7)24(6)20-15-18-22(4)17-14-16-21(2)3/h8-9,12-13,16,18,20H,10-11,14-15,17,19H2,1-7H3/b9-8+,13-12+,22-18+,24-20+,25-23+
InChIKeySOWZQBIHHHPTMJ-WVTMZWPFSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 58.65
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 (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene with MolForge

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Related Compounds

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12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
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2,10-dimethyldodeca-2,6,10-triene
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(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
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(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
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Frequently Asked Questions

What is the IUPAC name of (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene?
The IUPAC name of (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene (CID 144528362) is (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene.
What is the SMILES notation for (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene?
The canonical SMILES for (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene is C/C=C/CC/C=C/C/C(C)=C(C)/C(C)=C/C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene?
The InChIKey is SOWZQBIHHHPTMJ-WVTMZWPFSA-N. The full InChI is InChI=1S/C25H40/c1-8-9-10-11-12-13-19-23(5)25(7)24(6)20-15-18-22(4)17-14-16-21(2)3/h8-9,12-13,16,18,20H,10-11,14-15,17,19H2,1-7H3/b9-8+,13-12+,22-18+,24-20+,25-23+.
What are the key properties of (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene?
(6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene has a molecular weight of 340.60 g/mol, XLogP of 8.65, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E,11E,14E,18E)-2,6,10,11,12-pentamethylicosa-2,6,9,11,14,18-hexaene is sourced from PubChem (CID 144528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).