23-ethyltetracos-9-ene-1,24-diol

C26H52O2 — CID 57241352

IUPAC23-ethyltetracos-9-ene-1,24-diol
SMILESCCC(CO)CCCCCCCCCCCCC=CCCCCCCCCO
InChIInChI=1S/C26H52O2/c1-2-26(25-28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27/h6,8,26-28H,2-5,7,9-25H2,1H3
InChIKeyFCJVKDQFPUNVAV-UHFFFAOYSA-N
MW396.70 g/mol
LogP7.97
Rot. Bonds23

About 23-ethyltetracos-9-ene-1,24-diol

23-ethyltetracos-9-ene-1,24-diol (PubChem CID 57241352) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 23-ethyltetracos-9-ene-1,24-diol.

Molecular Properties

Compound Name23-ethyltetracos-9-ene-1,24-diol
PubChem CID57241352
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name23-ethyltetracos-9-ene-1,24-diol
SMILESCCC(CO)CCCCCCCCCCCCC=CCCCCCCCCO
InChIInChI=1S/C26H52O2/c1-2-26(25-28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27/h6,8,26-28H,2-5,7,9-25H2,1H3
InChIKeyFCJVKDQFPUNVAV-UHFFFAOYSA-N
XLogP7.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 23-ethyltetracos-9-ene-1,24-diol?
The IUPAC name of 23-ethyltetracos-9-ene-1,24-diol (CID 57241352) is 23-ethyltetracos-9-ene-1,24-diol.
What is the SMILES notation for 23-ethyltetracos-9-ene-1,24-diol?
The canonical SMILES for 23-ethyltetracos-9-ene-1,24-diol is CCC(CO)CCCCCCCCCCCCC=CCCCCCCCCO.
What is the InChIKey of 23-ethyltetracos-9-ene-1,24-diol?
The InChIKey is FCJVKDQFPUNVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-2-26(25-28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27/h6,8,26-28H,2-5,7,9-25H2,1H3.
What are the key properties of 23-ethyltetracos-9-ene-1,24-diol?
23-ethyltetracos-9-ene-1,24-diol has a molecular weight of 396.70 g/mol, XLogP of 7.97, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-ethyltetracos-9-ene-1,24-diol is sourced from PubChem (CID 57241352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).