2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate

C23H46O11 — CID 58473820

IUPAC2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C23H46O11/c1-3-22(2)23(25)34-21-20-33-19-18-32-17-16-31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-26-5-4-24/h22,24H,3-21H2,1-2H3
InChIKeyQMFVULFQSDZTJR-UHFFFAOYSA-N
MW498.61 g/mol
LogP0.70
Rot. Bonds28

About 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate

2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate (PubChem CID 58473820) has the molecular formula C23H46O11 and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
PubChem CID58473820
Molecular FormulaC23H46O11
Molecular Weight498.61 g/mol
Exact Mass498.30
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C23H46O11/c1-3-22(2)23(25)34-21-20-33-19-18-32-17-16-31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-26-5-4-24/h22,24H,3-21H2,1-2H3
InChIKeyQMFVULFQSDZTJR-UHFFFAOYSA-N
XLogP0.70
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate
CID 168763268
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
propyl (2R)-2-methylbutanoate
CID 86306230
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
CID 118372663
2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
CID 168734514

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate (CID 58473820) is 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?
The InChIKey is QMFVULFQSDZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O11/c1-3-22(2)23(25)34-21-20-33-19-18-32-17-16-31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-26-5-4-24/h22,24H,3-21H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate has a molecular weight of 498.61 g/mol, XLogP of 0.70, 28 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate is sourced from PubChem (CID 58473820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).