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

C170H340O25 — CID 165096414

IUPAC10,13-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
SMILESCC(=O)CCCCCCCC(O)CCCO.CC(=O)CCCCCCCCCCCO.CCC(O)CCC(O)CCCCCCCC(C)=O.CCC(O)CCCCCCCCCCC(C)=O.CCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCCCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C21H42O3.C21H42O2.C19H38O3.C19H38O2.C17H34O3.C17H34O2.C15H30O3.C15H30O2.C13H26O3.C13H26O2/c1-3-4-5-6-9-12-15-20(23)17-18-21(24)16-13-10-7-8-11-14-19(2)22;1-3-4-5-6-12-15-18-21(23)19-16-13-10-8-7-9-11-14-17-20(2)22;1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20;1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20;1-3-4-11-16(19)13-14-17(20)12-9-7-5-6-8-10-15(2)18;1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18;1-3-14(17)11-12-15(18)10-8-6-4-5-7-9-13(2)16;1-3-15(17)13-11-9-7-5-4-6-8-10-12-14(2)16;1-12(15)8-5-3-2-4-6-9-13(16)10-7-11-14;1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h20-21,23-24H,3-18H2,1-2H3;21,23H,3-19H2,1-2H3;18-19,21-22H,3-16H2,1-2H3;19,21H,3-17H2,1-2H3;16-17,19-20H,3-14H2,1-2H3;17,19H,3-15H2,1-2H3;14-15,17-18H,3-12H2,1-2H3;15,17H,3-13H2,1-2H3;13-14,16H,2-11H2,1H3;14H,2-12H2,1H3
InChIKeyXOZFNKLKWXLOPN-UHFFFAOYSA-N
MW2784.56 g/mol
LogP45.13
Rot. Bonds142

About 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

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 (PubChem CID 165096414) has the molecular formula C170H340O25 and a molecular weight of 2784.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,13-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
PubChem CID165096414
Molecular FormulaC170H340O25
Molecular Weight2784.56 g/mol
Exact Mass2782.53
IUPAC Name10,13-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
SMILESCC(=O)CCCCCCCC(O)CCCO.CC(=O)CCCCCCCCCCCO.CCC(O)CCC(O)CCCCCCCC(C)=O.CCC(O)CCCCCCCCCCC(C)=O.CCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCCCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C21H42O3.C21H42O2.C19H38O3.C19H38O2.C17H34O3.C17H34O2.C15H30O3.C15H30O2.C13H26O3.C13H26O2/c1-3-4-5-6-9-12-15-20(23)17-18-21(24)16-13-10-7-8-11-14-19(2)22;1-3-4-5-6-12-15-18-21(23)19-16-13-10-8-7-9-11-14-17-20(2)22;1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20;1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20;1-3-4-11-16(19)13-14-17(20)12-9-7-5-6-8-10-15(2)18;1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18;1-3-14(17)11-12-15(18)10-8-6-4-5-7-9-13(2)16;1-3-15(17)13-11-9-7-5-4-6-8-10-12-14(2)16;1-12(15)8-5-3-2-4-6-9-13(16)10-7-11-14;1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h20-21,23-24H,3-18H2,1-2H3;21,23H,3-19H2,1-2H3;18-19,21-22H,3-16H2,1-2H3;19,21H,3-17H2,1-2H3;16-17,19-20H,3-14H2,1-2H3;17,19H,3-15H2,1-2H3;14-15,17-18H,3-12H2,1-2H3;15,17H,3-13H2,1-2H3;13-14,16H,2-11H2,1H3;14H,2-12H2,1H3
InChIKeyXOZFNKLKWXLOPN-UHFFFAOYSA-N
XLogP45.13
TPSA474.15 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds142
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.56
LogP ≤ 545.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10,13-dihydroxynonadecan-2-one
CID 164804782
13-hydroxyheptadecan-2-one
CID 164804784
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
11-hydroxytridecan-2-one
CID 11687152
10,11-dihydroxyheptadecan-2-one;10,17-dihydroxyheptadecan-2-one;11,17-dihydroxyheptadecan-2-one;9-(3-hexyloxiran-2-yl)nonan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;17-hydroxyheptadecan-2-one;10,11,17-trihydroxyheptadecan-2-one
CID 158349783
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCCCCCC(O)CCCO.CC(=O)CCCCCCCCCCCO.CCC(O)CCC(O)CCCCCCCC(C)=O.CCC(O)CCCCCCCCCCC(C)=O.CCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCCCC(C)=O.CCCCCCCCC(O)CCC(O)CCCCCCCC(C)=O.CCCCCCCCC(O)CCCCCCCCCCC(C)=O.
What is the InChIKey of 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?
The InChIKey is XOZFNKLKWXLOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3.C21H42O2.C19H38O3.C19H38O2.C17H34O3.C17H34O2.C15H30O3.C15H30O2.C13H26O3.C13H26O2/c1-3-4-5-6-9-12-15-20(23)17-18-21(24)16-13-10-7-8-11-14-19(2)22;1-3-4-5-6-12-15-18-21(23)19-16-13-10-8-7-9-11-14-17-20(2)22;1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20;1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20;1-3-4-11-16(19)13-14-17(20)12-9-7-5-6-8-10-15(2)18;1-3-4-14-17(19)15-12-10-8-6-5-7-9-11-13-16(2)18;1-3-14(17)11-12-15(18)10-8-6-4-5-7-9-13(2)16;1-3-15(17)13-11-9-7-5-4-6-8-10-12-14(2)16;1-12(15)8-5-3-2-4-6-9-13(16)10-7-11-14;1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h20-21,23-24H,3-18H2,1-2H3;21,23H,3-19H2,1-2H3;18-19,21-22H,3-16H2,1-2H3;19,21H,3-17H2,1-2H3;16-17,19-20H,3-14H2,1-2H3;17,19H,3-15H2,1-2H3;14-15,17-18H,3-12H2,1-2H3;15,17H,3-13H2,1-2H3;13-14,16H,2-11H2,1H3;14H,2-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2784.56 g/mol, XLogP of 45.13, 142 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165096414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).