tetracosa-1,3,5-trien-1-ol

C24H44O — CID 71340356

IUPACtetracosa-1,3,5-trien-1-ol
SMILESCCCCCCCCCCCCCCCCCCC=CC=CC=CO
InChIInChI=1S/C24H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h19-25H,2-18H2,1H3
InChIKeyVPAWUUMYKKBBJY-UHFFFAOYSA-N
MW348.61 g/mol
LogP8.82
Rot. Bonds19

About tetracosa-1,3,5-trien-1-ol

tetracosa-1,3,5-trien-1-ol (PubChem CID 71340356) has the molecular formula C24H44O and a molecular weight of 348.61 g/mol. Its IUPAC name is tetracosa-1,3,5-trien-1-ol.

Molecular Properties

Compound Nametetracosa-1,3,5-trien-1-ol
PubChem CID71340356
Molecular FormulaC24H44O
Molecular Weight348.61 g/mol
Exact Mass348.34
IUPAC Nametetracosa-1,3,5-trien-1-ol
SMILESCCCCCCCCCCCCCCCCCCC=CC=CC=CO
InChIInChI=1S/C24H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h19-25H,2-18H2,1H3
InChIKeyVPAWUUMYKKBBJY-UHFFFAOYSA-N
XLogP8.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.61
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dodecadien-1-ol, (2E,4E)-
CID 6436491
(E)-hexadec-2-en-1-ol
CID 5362706
(3Z,13Z)-octadeca-3,13-dien-1-ol
CID 5283296
3,13-Octadecadien-1-ol, (3E,13Z)-
CID 5283297
(2E,13Z)-2,13-Octadecadienol
CID 5283306
2-Octadecen-1-ol, (2E)-
CID 5364416
Z,E-2,13-Octadecadien-1-ol
CID 5364462
2Z,13Z-Octadecadien-1-ol
CID 5364463
Hexadecen-1-ol
CID 6442614
Eicosen-1-ol
CID 6365348
1,3-Hexadecadien-1-ol
CID 22559449
(4E,6Z)-4,6-hexadecadien-1-ol
CID 44256523

Frequently Asked Questions

What is the IUPAC name of tetracosa-1,3,5-trien-1-ol?
The IUPAC name of tetracosa-1,3,5-trien-1-ol (CID 71340356) is tetracosa-1,3,5-trien-1-ol.
What is the SMILES notation for tetracosa-1,3,5-trien-1-ol?
The canonical SMILES for tetracosa-1,3,5-trien-1-ol is CCCCCCCCCCCCCCCCCCC=CC=CC=CO.
What is the InChIKey of tetracosa-1,3,5-trien-1-ol?
The InChIKey is VPAWUUMYKKBBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h19-25H,2-18H2,1H3.
What are the key properties of tetracosa-1,3,5-trien-1-ol?
tetracosa-1,3,5-trien-1-ol has a molecular weight of 348.61 g/mol, XLogP of 8.82, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosa-1,3,5-trien-1-ol is sourced from PubChem (CID 71340356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).