2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate

C11H22O5 — CID 139655550

IUPAC2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
SMILESCCC(C)OCCOCCOCCOC=O
InChIInChI=1S/C11H22O5/c1-3-11(2)16-9-8-14-5-4-13-6-7-15-10-12/h10-11H,3-9H2,1-2H3
InChIKeyYQQGXJXTPCERKX-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.01
Rot. Bonds12

About 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate

2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate (PubChem CID 139655550) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate.

Molecular Properties

Compound Name2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
PubChem CID139655550
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
SMILESCCC(C)OCCOCCOCCOC=O
InChIInChI=1S/C11H22O5/c1-3-11(2)16-9-8-14-5-4-13-6-7-15-10-12/h10-11H,3-9H2,1-2H3
InChIKeyYQQGXJXTPCERKX-UHFFFAOYSA-N
XLogP1.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate?
The IUPAC name of 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate (CID 139655550) is 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate.
What is the SMILES notation for 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate?
The canonical SMILES for 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate is CCC(C)OCCOCCOCCOC=O.
What is the InChIKey of 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate?
The InChIKey is YQQGXJXTPCERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-3-11(2)16-9-8-14-5-4-13-6-7-15-10-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate?
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate has a molecular weight of 234.29 g/mol, XLogP of 1.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate is sourced from PubChem (CID 139655550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).