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

C136H270O21 — CID 158349783

IUPAC10,11-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
SMILESCC(=O)CCCCCCCC(O)C(O)CCCCCCO.CC(=O)CCCCCCCC(O)CCCCCCCO.CC(=O)CCCCCCCCC(O)CCCCCCO.CC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCC1OC1CCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O
InChIInChI=1S/C17H34O4.3C17H34O3.C17H32O2.3C17H34O2/c1-15(19)11-7-3-2-4-8-12-16(20)17(21)13-9-5-6-10-14-18;1-16(19)12-8-4-2-5-9-13-17(20)14-10-6-3-7-11-15-18;1-16(19)12-8-4-2-3-5-9-13-17(20)14-10-6-7-11-15-18;1-3-4-5-10-13-16(19)17(20)14-11-8-6-7-9-12-15(2)18;1-3-4-5-10-13-16-17(19-16)14-11-8-6-7-9-12-15(2)18;1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18;1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18/h16-18,20-21H,2-14H2,1H3;2*17-18,20H,2-15H2,1H3;16-17,19-20H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;18H,2-16H2,1H3;2*17,19H,3-15H2,1-2H3
InChIKeyGSEBROITQSYPKB-UHFFFAOYSA-N
MW2241.63 g/mol
LogP35.10
Rot. Bonds115

About 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

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 (PubChem CID 158349783) has the molecular formula C136H270O21 and a molecular weight of 2241.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,11-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
PubChem CID158349783
Molecular FormulaC136H270O21
Molecular Weight2241.63 g/mol
Exact Mass2240.01
IUPAC Name10,11-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
SMILESCC(=O)CCCCCCCC(O)C(O)CCCCCCO.CC(=O)CCCCCCCC(O)CCCCCCCO.CC(=O)CCCCCCCCC(O)CCCCCCO.CC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCC1OC1CCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O
InChIInChI=1S/C17H34O4.3C17H34O3.C17H32O2.3C17H34O2/c1-15(19)11-7-3-2-4-8-12-16(20)17(21)13-9-5-6-10-14-18;1-16(19)12-8-4-2-5-9-13-17(20)14-10-6-3-7-11-15-18;1-16(19)12-8-4-2-3-5-9-13-17(20)14-10-6-7-11-15-18;1-3-4-5-10-13-16(19)17(20)14-11-8-6-7-9-12-15(2)18;1-3-4-5-10-13-16-17(19-16)14-11-8-6-7-9-12-15(2)18;1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18;1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18/h16-18,20-21H,2-14H2,1H3;2*17-18,20H,2-15H2,1H3;16-17,19-20H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;18H,2-16H2,1H3;2*17,19H,3-15H2,1-2H3
InChIKeyGSEBROITQSYPKB-UHFFFAOYSA-N
XLogP35.10
TPSA391.85 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds115
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.63
LogP ≤ 535.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-hydroxybutyl 9,10-dihydroxyoctadecanoate;2-hydroxybutyl 9,18-dihydroxyoctadecanoate;2-hydroxybutyl 10,18-dihydroxyoctadecanoate;2-hydroxybutyl 9-hydroxyoctadecanoate;2-hydroxybutyl 10-hydroxyoctadecanoate;2-hydroxybutyl 18-hydroxyoctadecanoate;2-hydroxybutyl octadecanoate;2-hydroxybutyl 8-(3-octyloxiran-2-yl)octanoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 157120686
1-hydroxybutan-2-yl 9,10-dihydroxyhexadecanoate;1-hydroxybutan-2-yl 9,16-dihydroxyhexadecanoate;1-hydroxybutan-2-yl 10,16-dihydroxyhexadecanoate;1-hydroxybutan-2-yl hexadecanoate;1-hydroxybutan-2-yl 8-(3-hexyloxiran-2-yl)octanoate;1-hydroxybutan-2-yl 9-hydroxyhexadecanoate;1-hydroxybutan-2-yl 10-hydroxyhexadecanoate;1-hydroxybutan-2-yl 16-hydroxyhexadecanoate;1-hydroxybutan-2-yl pentadecanoate;1-hydroxybutan-2-yl tetradecanoate;1-hydroxybutan-2-yl 9,10,16-trihydroxyhexadecanoate
CID 159929924
methyl heptadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 8-(3-hexyloxiran-2-yl)octanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;methyl 9-hydroxyoctadecanoate;methyl octadecanoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 159203057
ethyl 9,10-dihydroxyoctadecanoate;ethyl 9,18-dihydroxyoctadecanoate;ethyl 10,18-dihydroxyoctadecanoate;ethyl heptadecanoate;ethyl 10-hydroxyoctadecanoate;ethyl 18-hydroxyoctadecanoate;ethyl octadecanoate;ethyl (Z)-octadec-9-enoate;ethyl (E)-octadec-9-enoate;ethyl 8-(3-octyloxiran-2-yl)octanoate;ethyl 9,10,18-trihydroxyoctadecanoate;methane
CID 158772182
2-hydroxybutyl 9,10-dihydroxyhexadecanoate;2-hydroxybutyl hexadecanoate;2-hydroxybutyl 9-hydroxyhexadecanoate;2-hydroxybutyl 10-hydroxyhexadecanoate;2-hydroxybutyl (Z)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (E)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate;2-hydroxybutyl (Z)-octadec-9-enoate;2-hydroxybutyl (E)-octadec-9-enoate
CID 158677102
10-hydroxynonadecan-2-one
CID 15922920
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
(13R)-13-hydroxynonadecan-2-one
CID 58468474
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane
CID 163642248
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
10,13-dihydroxynonadecan-2-one
CID 164804782

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCCCCCC(O)C(O)CCCCCCO.CC(=O)CCCCCCCC(O)CCCCCCCO.CC(=O)CCCCCCCCC(O)CCCCCCO.CC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(C)=O.CCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCC1OC1CCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O.
What is the InChIKey of 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?
The InChIKey is GSEBROITQSYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4.3C17H34O3.C17H32O2.3C17H34O2/c1-15(19)11-7-3-2-4-8-12-16(20)17(21)13-9-5-6-10-14-18;1-16(19)12-8-4-2-5-9-13-17(20)14-10-6-3-7-11-15-18;1-16(19)12-8-4-2-3-5-9-13-17(20)14-10-6-7-11-15-18;1-3-4-5-10-13-16(19)17(20)14-11-8-6-7-9-12-15(2)18;1-3-4-5-10-13-16-17(19-16)14-11-8-6-7-9-12-15(2)18;1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18;1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18/h16-18,20-21H,2-14H2,1H3;2*17-18,20H,2-15H2,1H3;16-17,19-20H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;18H,2-16H2,1H3;2*17,19H,3-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2241.63 g/mol, XLogP of 35.10, 115 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158349783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).