13-hydroxyheptadecan-2-one

C17H34O2 — CID 164804784

IUPAC13-hydroxyheptadecan-2-one
SMILESCCCCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C17H34O2/c1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18/h17,19H,3-15H2,1-2H3
InChIKeyPLKHKGDGDMGULG-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.03
Rot. Bonds14

About 13-hydroxyheptadecan-2-one

13-hydroxyheptadecan-2-one (PubChem CID 164804784) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 13-hydroxyheptadecan-2-one.

Molecular Properties

Compound Name13-hydroxyheptadecan-2-one
PubChem CID164804784
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name13-hydroxyheptadecan-2-one
SMILESCCCCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C17H34O2/c1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18/h17,19H,3-15H2,1-2H3
InChIKeyPLKHKGDGDMGULG-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.03
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

10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
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
11-hydroxytridecan-2-one
CID 11687152
10,13-dihydroxyhenicosan-2-one;10,13-dihydroxyheptadecan-2-one;10,13-dihydroxynonadecan-2-one;10,13-dihydroxypentadecan-2-one;10,13-dihydroxytridecan-2-one;13-hydroxyhenicosan-2-one;13-hydroxyheptadecan-2-one;13-hydroxynonadecan-2-one;13-hydroxypentadecan-2-one;13-hydroxytridecan-2-one
CID 165096414
21-hydroxypentacosanoic acid
CID 169277058
8-hydroxydodecanoate
CID 155802527
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
(5R)-5-hydroxyhentriacontane-14,16-dione
CID 162890946

Frequently Asked Questions

What is the IUPAC name of 13-hydroxyheptadecan-2-one?
The IUPAC name of 13-hydroxyheptadecan-2-one (CID 164804784) is 13-hydroxyheptadecan-2-one.
What is the SMILES notation for 13-hydroxyheptadecan-2-one?
The canonical SMILES for 13-hydroxyheptadecan-2-one is CCCCC(O)CCCCCCCCCCC(C)=O.
What is the InChIKey of 13-hydroxyheptadecan-2-one?
The InChIKey is PLKHKGDGDMGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18/h17,19H,3-15H2,1-2H3.
What are the key properties of 13-hydroxyheptadecan-2-one?
13-hydroxyheptadecan-2-one has a molecular weight of 270.46 g/mol, XLogP of 5.03, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxyheptadecan-2-one is sourced from PubChem (CID 164804784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).