6-hydroxypentacosan-8-one

C25H50O2 — CID 131751819

IUPAC6-hydroxypentacosan-8-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC
InChIInChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24,26H,3-23H2,1-2H3
InChIKeyGWONURZMUVCQJN-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.15
Rot. Bonds22

About 6-hydroxypentacosan-8-one

6-hydroxypentacosan-8-one (PubChem CID 131751819) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 6-hydroxypentacosan-8-one.

Molecular Properties

Compound Name6-hydroxypentacosan-8-one
PubChem CID131751819
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name6-hydroxypentacosan-8-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC
InChIInChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24,26H,3-23H2,1-2H3
InChIKeyGWONURZMUVCQJN-UHFFFAOYSA-N
XLogP8.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.15
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

11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
4-hydroxytricosan-6-one
CID 131751829
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
25-hydroxyhexatetracontan-21-one
CID 163029416
(3R)-3-hydroxytriacontan-11-one
CID 163074404
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
(5S)-5-hydroxydecan-3-one
CID 102362310
(5R)-5-hydroxyhentriacontane-14,16-dione
CID 162890946
1,2-dihydroxyhexacosan-4-one;hydrate
CID 141328016
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399

Frequently Asked Questions

What is the IUPAC name of 6-hydroxypentacosan-8-one?
The IUPAC name of 6-hydroxypentacosan-8-one (CID 131751819) is 6-hydroxypentacosan-8-one.
What is the SMILES notation for 6-hydroxypentacosan-8-one?
The canonical SMILES for 6-hydroxypentacosan-8-one is CCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC.
What is the InChIKey of 6-hydroxypentacosan-8-one?
The InChIKey is GWONURZMUVCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24,26H,3-23H2,1-2H3.
What are the key properties of 6-hydroxypentacosan-8-one?
6-hydroxypentacosan-8-one has a molecular weight of 382.67 g/mol, XLogP of 8.15, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxypentacosan-8-one is sourced from PubChem (CID 131751819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).