2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane

C12H18O5 — CID 70212097

IUPAC2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane
SMILESC=COC(COCC(OC=C)OC=C)OC=C
InChIInChI=1S/C12H18O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h5-8,11-12H,1-4,9-10H2
InChIKeyCIGRHQLFRAAAFZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.30
Rot. Bonds12

About 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane

2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane (PubChem CID 70212097) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane.

Molecular Properties

Compound Name2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane
PubChem CID70212097
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane
SMILESC=COC(COCC(OC=C)OC=C)OC=C
InChIInChI=1S/C12H18O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h5-8,11-12H,1-4,9-10H2
InChIKeyCIGRHQLFRAAAFZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane?
The IUPAC name of 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane (CID 70212097) is 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane.
What is the SMILES notation for 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane?
The canonical SMILES for 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane is C=COC(COCC(OC=C)OC=C)OC=C.
What is the InChIKey of 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane?
The InChIKey is CIGRHQLFRAAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h5-8,11-12H,1-4,9-10H2.
What are the key properties of 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane?
2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane has a molecular weight of 242.27 g/mol, XLogP of 2.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(ethenoxy)ethoxy]-1,1-bis(ethenoxy)ethane is sourced from PubChem (CID 70212097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).