acetic acid;tetracos-1-en-1-ol

C26H52O3 — CID 71418206

IUPACacetic acid;tetracos-1-en-1-ol
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCC=CO
InChIInChI=1S/C24H48O.C2H4O2/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;1-2(3)4/h23-25H,2-22H2,1H3;1H3,(H,3,4)
InChIKeyGGLYQUGKMHYDOM-UHFFFAOYSA-N
MW412.70 g/mol
LogP9.36
Rot. Bonds21

About acetic acid;tetracos-1-en-1-ol

acetic acid;tetracos-1-en-1-ol (PubChem CID 71418206) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is acetic acid;tetracos-1-en-1-ol.

Molecular Properties

Compound Nameacetic acid;tetracos-1-en-1-ol
PubChem CID71418206
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Nameacetic acid;tetracos-1-en-1-ol
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCC=CO
InChIInChI=1S/C24H48O.C2H4O2/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;1-2(3)4/h23-25H,2-22H2,1H3;1H3,(H,3,4)
InChIKeyGGLYQUGKMHYDOM-UHFFFAOYSA-N
XLogP9.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;hexadec-1-en-1-ol
CID 71357658
acetic acid;tetradeca-1,9-dien-1-ol
CID 175076065
acetic acid;(E)-tetradec-7-ene
CID 174697247
(Z)-pentadec-1-en-1-ol
CID 135331786
(E)-pentacos-1-en-1-ol
CID 135335589
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
acetic acid;(Z)-dec-3-ene
CID 174912778
octadeca-1,13-dien-1-ol
CID 173121354

Frequently Asked Questions

What is the IUPAC name of acetic acid;tetracos-1-en-1-ol?
The IUPAC name of acetic acid;tetracos-1-en-1-ol (CID 71418206) is acetic acid;tetracos-1-en-1-ol.
What is the SMILES notation for acetic acid;tetracos-1-en-1-ol?
The canonical SMILES for acetic acid;tetracos-1-en-1-ol is CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCC=CO.
What is the InChIKey of acetic acid;tetracos-1-en-1-ol?
The InChIKey is GGLYQUGKMHYDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O.C2H4O2/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;1-2(3)4/h23-25H,2-22H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;tetracos-1-en-1-ol?
acetic acid;tetracos-1-en-1-ol has a molecular weight of 412.70 g/mol, XLogP of 9.36, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tetracos-1-en-1-ol is sourced from PubChem (CID 71418206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).