22-hydroxytricos-22-en-3-one

C23H44O2 — CID 170097377

IUPAC22-hydroxytricos-22-en-3-one
SMILESC=C(O)CCCCCCCCCCCCCCCCCCC(=O)CC
InChIInChI=1S/C23H44O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(2)24/h24H,2-21H2,1H3
InChIKeyVOMMDWVGEVEQDR-UHFFFAOYSA-N
MW352.60 g/mol
LogP8.06
Rot. Bonds20

About 22-hydroxytricos-22-en-3-one

22-hydroxytricos-22-en-3-one (PubChem CID 170097377) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 22-hydroxytricos-22-en-3-one.

Molecular Properties

Compound Name22-hydroxytricos-22-en-3-one
PubChem CID170097377
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name22-hydroxytricos-22-en-3-one
SMILESC=C(O)CCCCCCCCCCCCCCCCCCC(=O)CC
InChIInChI=1S/C23H44O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(2)24/h24H,2-21H2,1H3
InChIKeyVOMMDWVGEVEQDR-UHFFFAOYSA-N
XLogP8.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 58.06
H-Bond Donors ≤ 51
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

methane;undecane-3,9-dione
CID 158816586
9-oxoundecanoic acid
CID 5282986
1-hydroxydodecane-2,10-dione
CID 158814981
tetracosane-3,13-dione
CID 143607999
decan-3-one;hydrochloride
CID 22446547
pentadecane-2,13-dione
CID 58143587
10-methyl-9-methylidenedodecan-3-one
CID 123893300
heptadecane-3,7,11,15-tetrone
CID 160942813
14-aminotetradecan-3-one
CID 178176766
pentadecane-2,7,13-trione
CID 154620463
hexadecane-3,6-dione
CID 154449726
11-hydroxydodec-11-enoic acid
CID 23566131

Frequently Asked Questions

What is the IUPAC name of 22-hydroxytricos-22-en-3-one?
The IUPAC name of 22-hydroxytricos-22-en-3-one (CID 170097377) is 22-hydroxytricos-22-en-3-one.
What is the SMILES notation for 22-hydroxytricos-22-en-3-one?
The canonical SMILES for 22-hydroxytricos-22-en-3-one is C=C(O)CCCCCCCCCCCCCCCCCCC(=O)CC.
What is the InChIKey of 22-hydroxytricos-22-en-3-one?
The InChIKey is VOMMDWVGEVEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(2)24/h24H,2-21H2,1H3.
What are the key properties of 22-hydroxytricos-22-en-3-one?
22-hydroxytricos-22-en-3-one has a molecular weight of 352.60 g/mol, XLogP of 8.06, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-hydroxytricos-22-en-3-one is sourced from PubChem (CID 170097377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).