18,18-dihydroxyoctadecan-2-one

C18H36O3 — CID 123837048

IUPAC18,18-dihydroxyoctadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h18,20-21H,2-16H2,1H3
InChIKeyWBESBOHCSYIVAL-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.74
Rot. Bonds16

About 18,18-dihydroxyoctadecan-2-one

18,18-dihydroxyoctadecan-2-one (PubChem CID 123837048) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 18,18-dihydroxyoctadecan-2-one.

Molecular Properties

Compound Name18,18-dihydroxyoctadecan-2-one
PubChem CID123837048
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name18,18-dihydroxyoctadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h18,20-21H,2-16H2,1H3
InChIKeyWBESBOHCSYIVAL-UHFFFAOYSA-N
XLogP4.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
11-hydroxytridecan-2-one
CID 11687152
10-hydroxynonadecan-2-one
CID 15922920
13-hydroxyheptadecan-2-one
CID 164804784
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
15,16,17-trihydroxyheptadecan-2-one
CID 54276574
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
10,13-dihydroxynonadecan-2-one
CID 164804782

Frequently Asked Questions

What is the IUPAC name of 18,18-dihydroxyoctadecan-2-one?
The IUPAC name of 18,18-dihydroxyoctadecan-2-one (CID 123837048) is 18,18-dihydroxyoctadecan-2-one.
What is the SMILES notation for 18,18-dihydroxyoctadecan-2-one?
The canonical SMILES for 18,18-dihydroxyoctadecan-2-one is CC(=O)CCCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 18,18-dihydroxyoctadecan-2-one?
The InChIKey is WBESBOHCSYIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h18,20-21H,2-16H2,1H3.
What are the key properties of 18,18-dihydroxyoctadecan-2-one?
18,18-dihydroxyoctadecan-2-one has a molecular weight of 300.48 g/mol, XLogP of 4.74, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dihydroxyoctadecan-2-one is sourced from PubChem (CID 123837048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).