2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate

C20H38O8 — CID 135253417

IUPAC2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate
SMILESCCCC(O)C(O)CCCC(=O)OCCOC(=O)CCCC(O)C(O)CCC
InChIInChI=1S/C20H38O8/c1-3-7-15(21)17(23)9-5-11-19(25)27-13-14-28-20(26)12-6-10-18(24)16(22)8-4-2/h15-18,21-24H,3-14H2,1-2H3
InChIKeyYEXMKUGIBWOGBM-UHFFFAOYSA-N
MW406.52 g/mol
LogP1.46
Rot. Bonds17

About 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate

2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate (PubChem CID 135253417) has the molecular formula C20H38O8 and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate.

Molecular Properties

Compound Name2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate
PubChem CID135253417
Molecular FormulaC20H38O8
Molecular Weight406.52 g/mol
Exact Mass406.26
IUPAC Name2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate
SMILESCCCC(O)C(O)CCCC(=O)OCCOC(=O)CCCC(O)C(O)CCC
InChIInChI=1S/C20H38O8/c1-3-7-15(21)17(23)9-5-11-19(25)27-13-14-28-20(26)12-6-10-18(24)16(22)8-4-2/h15-18,21-24H,3-14H2,1-2H3
InChIKeyYEXMKUGIBWOGBM-UHFFFAOYSA-N
XLogP1.46
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
CID 166706766
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
3,3-dihydroxypropyl octanoate
CID 57097906
bis(2-ethyl-3-hydroxyhexyl) decanedioate
CID 134229647
5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid
CID 91047897
butyl 7-butoxy-8-hydroxyoctadecanoate
CID 18172628
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
2-butanoyloxyethyl butanoate;methane
CID 161018761
ethyl (5R)-5-hydroxynonanoate
CID 118890324
bis(3-butylheptyl) hexanedioate
CID 170341681

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate?
The IUPAC name of 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate (CID 135253417) is 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate.
What is the SMILES notation for 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate?
The canonical SMILES for 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate is CCCC(O)C(O)CCCC(=O)OCCOC(=O)CCCC(O)C(O)CCC.
What is the InChIKey of 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate?
The InChIKey is YEXMKUGIBWOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8/c1-3-7-15(21)17(23)9-5-11-19(25)27-13-14-28-20(26)12-6-10-18(24)16(22)8-4-2/h15-18,21-24H,3-14H2,1-2H3.
What are the key properties of 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate?
2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate has a molecular weight of 406.52 g/mol, XLogP of 1.46, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate is sourced from PubChem (CID 135253417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).