15,16,17-trihydroxyheptadecan-2-one

C17H34O4 — CID 54276574

IUPAC15,16,17-trihydroxyheptadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC(O)C(O)CO
InChIInChI=1S/C17H34O4/c1-15(19)12-10-8-6-4-2-3-5-7-9-11-13-16(20)17(21)14-18/h16-18,20-21H,2-14H2,1H3
InChIKeyRNVCEKFCQNLBBH-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.97
Rot. Bonds15

About 15,16,17-trihydroxyheptadecan-2-one

15,16,17-trihydroxyheptadecan-2-one (PubChem CID 54276574) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 15,16,17-trihydroxyheptadecan-2-one.

Molecular Properties

Compound Name15,16,17-trihydroxyheptadecan-2-one
PubChem CID54276574
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name15,16,17-trihydroxyheptadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC(O)C(O)CO
InChIInChI=1S/C17H34O4/c1-15(19)12-10-8-6-4-2-3-5-7-9-11-13-16(20)17(21)14-18/h16-18,20-21H,2-14H2,1H3
InChIKeyRNVCEKFCQNLBBH-UHFFFAOYSA-N
XLogP2.97
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-25,26,27-trihydroxyheptacos-11-en-2-one
CID 88782591
(5S)-5,6,7-trihydroxyheptan-2-one
CID 139447202
19,20,21-trihydroxyhenicosanoic acid
CID 54189389
18,18-dihydroxyoctadecan-2-one
CID 123837048
octanoic acid;tridecane-1,2,3-triol
CID 162007847
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
(2S,3S)-decane-1,2,3-triol
CID 12619492
18-methylnonadecan-2-one
CID 90921447
(2R,3R)-undecane-1,2,3-triol
CID 15641124
8-methylnonan-2-one
CID 528744
11-hydroxytridecan-2-one
CID 11687152

Frequently Asked Questions

What is the IUPAC name of 15,16,17-trihydroxyheptadecan-2-one?
The IUPAC name of 15,16,17-trihydroxyheptadecan-2-one (CID 54276574) is 15,16,17-trihydroxyheptadecan-2-one.
What is the SMILES notation for 15,16,17-trihydroxyheptadecan-2-one?
The canonical SMILES for 15,16,17-trihydroxyheptadecan-2-one is CC(=O)CCCCCCCCCCCCC(O)C(O)CO.
What is the InChIKey of 15,16,17-trihydroxyheptadecan-2-one?
The InChIKey is RNVCEKFCQNLBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-15(19)12-10-8-6-4-2-3-5-7-9-11-13-16(20)17(21)14-18/h16-18,20-21H,2-14H2,1H3.
What are the key properties of 15,16,17-trihydroxyheptadecan-2-one?
15,16,17-trihydroxyheptadecan-2-one has a molecular weight of 302.46 g/mol, XLogP of 2.97, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16,17-trihydroxyheptadecan-2-one is sourced from PubChem (CID 54276574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).