butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C25H50O12 — CID 91703098

IUPACbutyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C25H50O12/c1-3-4-5-37-25(26)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-2/h3-24H2,1-2H3
InChIKeyFJMSVIAONDZNBT-UHFFFAOYSA-N
MW542.66 g/mol
LogP1.13
Rot. Bonds32

About butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 91703098) has the molecular formula C25H50O12 and a molecular weight of 542.66 g/mol. Its IUPAC name is butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namebutyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID91703098
Molecular FormulaC25H50O12
Molecular Weight542.66 g/mol
Exact Mass542.33
IUPAC Namebutyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C25H50O12/c1-3-4-5-37-25(26)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-2/h3-24H2,1-2H3
InChIKeyFJMSVIAONDZNBT-UHFFFAOYSA-N
XLogP1.13
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 101101896
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
ethyl 2-butoxyacetate
CID 14419651
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 91703098) is butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is CCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is FJMSVIAONDZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O12/c1-3-4-5-37-25(26)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-2/h3-24H2,1-2H3.
What are the key properties of butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 542.66 g/mol, XLogP of 1.13, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 91703098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).