2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate

C18H30O9 — CID 90396446

IUPAC2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C18H30O9/c1-15(19)3-5-17(21)26-13-11-24-9-7-23-8-10-25-12-14-27-18(22)6-4-16(2)20/h3-14H2,1-2H3
InChIKeyLCHBOYPLNBGNNY-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.86
Rot. Bonds18

About 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate

2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate (PubChem CID 90396446) has the molecular formula C18H30O9 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
PubChem CID90396446
Molecular FormulaC18H30O9
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C18H30O9/c1-15(19)3-5-17(21)26-13-11-24-9-7-23-8-10-25-12-14-27-18(22)6-4-16(2)20/h3-14H2,1-2H3
InChIKeyLCHBOYPLNBGNNY-UHFFFAOYSA-N
XLogP0.86
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 4-oxopentanoate
CID 22556205
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
CID 118889300
1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
CID 158036781
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate
CID 118135667
2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
CID 158575016
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
2-oxopropyl 4-oxopentanoate
CID 56979422
ethane;2-[2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-sulfanylpiperidine-1-carboxylate
CID 142541989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate?
The IUPAC name of 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate (CID 90396446) is 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate.
What is the SMILES notation for 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate?
The canonical SMILES for 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate is CC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)=O.
What is the InChIKey of 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate?
The InChIKey is LCHBOYPLNBGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O9/c1-15(19)3-5-17(21)26-13-11-24-9-7-23-8-10-25-12-14-27-18(22)6-4-16(2)20/h3-14H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate?
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate has a molecular weight of 390.43 g/mol, XLogP of 0.86, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate is sourced from PubChem (CID 90396446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).