1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane

C12H20O3 — CID 87770238

IUPAC1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane
SMILESC=COCCC(C)(COC=C)COC=C
InChIInChI=1S/C12H20O3/c1-5-13-9-8-12(4,10-14-6-2)11-15-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyUGQFEYPIYYPZFG-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.86
Rot. Bonds10

About 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane

1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane (PubChem CID 87770238) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane.

Molecular Properties

Compound Name1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane
PubChem CID87770238
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane
SMILESC=COCCC(C)(COC=C)COC=C
InChIInChI=1S/C12H20O3/c1-5-13-9-8-12(4,10-14-6-2)11-15-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyUGQFEYPIYYPZFG-UHFFFAOYSA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane?
The IUPAC name of 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane (CID 87770238) is 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane.
What is the SMILES notation for 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane?
The canonical SMILES for 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane is C=COCCC(C)(COC=C)COC=C.
What is the InChIKey of 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane?
The InChIKey is UGQFEYPIYYPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-13-9-8-12(4,10-14-6-2)11-15-7-3/h5-7H,1-3,8-11H2,4H3.
What are the key properties of 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane?
1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane has a molecular weight of 212.29 g/mol, XLogP of 2.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)-2-(ethenoxymethyl)-2-methylbutane is sourced from PubChem (CID 87770238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).