(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene

C28H48O — CID 14379148

IUPAC(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
SMILESCOCCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C28H48O/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29-7/h14-16,20-21H,8-13,17-19,22-23H2,1-7H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyOFMDCCLOLCUHCB-BANQPHDMSA-N
MW400.69 g/mol
LogP9.29
Rot. Bonds16

About (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene

(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene (PubChem CID 14379148) has the molecular formula C28H48O and a molecular weight of 400.69 g/mol. Its IUPAC name is (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene.

Molecular Properties

Compound Name(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
PubChem CID14379148
Molecular FormulaC28H48O
Molecular Weight400.69 g/mol
Exact Mass400.37
IUPAC Name(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
SMILESCOCCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C28H48O/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29-7/h14-16,20-21H,8-13,17-19,22-23H2,1-7H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyOFMDCCLOLCUHCB-BANQPHDMSA-N
XLogP9.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The IUPAC name of (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene (CID 14379148) is (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene.
What is the SMILES notation for (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The canonical SMILES for (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene is COCCC/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)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The InChIKey is OFMDCCLOLCUHCB-BANQPHDMSA-N. The full InChI is InChI=1S/C28H48O/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29-7/h14-16,20-21H,8-13,17-19,22-23H2,1-7H3/b25-15+,26-16+,27-20+,28-21+.
What are the key properties of (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
(6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene has a molecular weight of 400.69 g/mol, XLogP of 9.29, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-22-methoxy-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene is sourced from PubChem (CID 14379148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).