(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal

C30H40O2 — CID 171120360

IUPAC(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO
InChIInChI=1S/C30H40O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-11,13-19,21-23,32H,12,20,24H2,1-6H3/b8-7+,15-9+,16-10+,19-11+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+
InChIKeyJNAQTYYJMBJZIS-RQVZEEHKSA-N
MW432.65 g/mol
LogP7.86
Rot. Bonds13

About (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal

(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal (PubChem CID 171120360) has the molecular formula C30H40O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal
PubChem CID171120360
Molecular FormulaC30H40O2
Molecular Weight432.65 g/mol
Exact Mass432.30
IUPAC Name(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO
InChIInChI=1S/C30H40O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-11,13-19,21-23,32H,12,20,24H2,1-6H3/b8-7+,15-9+,16-10+,19-11+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+
InChIKeyJNAQTYYJMBJZIS-RQVZEEHKSA-N
XLogP7.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal (CID 171120360) is (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal is C/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal?
The InChIKey is JNAQTYYJMBJZIS-RQVZEEHKSA-N. The full InChI is InChI=1S/C30H40O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-11,13-19,21-23,32H,12,20,24H2,1-6H3/b8-7+,15-9+,16-10+,19-11+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+.
What are the key properties of (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal?
(2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal has a molecular weight of 432.65 g/mol, XLogP of 7.86, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14E,16E,18E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal is sourced from PubChem (CID 171120360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).