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

C21H42O10 — CID 91703100

IUPACbutyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C21H42O10/c1-3-4-5-31-21(22)20-30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-2/h3-20H2,1-2H3
InChIKeyMJCZRQVSKKOISA-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.09
Rot. Bonds26

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

butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 91703100) has the molecular formula C21H42O10 and a molecular weight of 454.56 g/mol. Its IUPAC name is butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namebutyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID91703100
Molecular FormulaC21H42O10
Molecular Weight454.56 g/mol
Exact Mass454.28
IUPAC Namebutyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C21H42O10/c1-3-4-5-31-21(22)20-30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-2/h3-20H2,1-2H3
InChIKeyMJCZRQVSKKOISA-UHFFFAOYSA-N
XLogP1.09
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 91703100) is butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is CCCCOC(=O)COCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is MJCZRQVSKKOISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O10/c1-3-4-5-31-21(22)20-30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-2/h3-20H2,1-2H3.
What are the key properties of butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 454.56 g/mol, XLogP of 1.09, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 91703100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).