28-hydroxyoctacosan-7-one

C28H56O2 — CID 15088059

IUPAC28-hydroxyoctacosan-7-one
SMILESCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
InChIKeyPTZHJVIKISISFU-UHFFFAOYSA-N
MW424.75 g/mol
LogP9.32
Rot. Bonds26

About 28-hydroxyoctacosan-7-one

28-hydroxyoctacosan-7-one (PubChem CID 15088059) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is 28-hydroxyoctacosan-7-one.

Molecular Properties

Compound Name28-hydroxyoctacosan-7-one
PubChem CID15088059
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Name28-hydroxyoctacosan-7-one
SMILESCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
InChIKeyPTZHJVIKISISFU-UHFFFAOYSA-N
XLogP9.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hydroxytridecan-7-one
CID 87401341
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxydecan-5-one
CID 11658362
1-hydroxynonadecan-4-one
CID 91351841
pentacosan-7-one
CID 54551687
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of 28-hydroxyoctacosan-7-one?
The IUPAC name of 28-hydroxyoctacosan-7-one (CID 15088059) is 28-hydroxyoctacosan-7-one.
What is the SMILES notation for 28-hydroxyoctacosan-7-one?
The canonical SMILES for 28-hydroxyoctacosan-7-one is CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 28-hydroxyoctacosan-7-one?
The InChIKey is PTZHJVIKISISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3.
What are the key properties of 28-hydroxyoctacosan-7-one?
28-hydroxyoctacosan-7-one has a molecular weight of 424.75 g/mol, XLogP of 9.32, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 28-hydroxyoctacosan-7-one is sourced from PubChem (CID 15088059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).