1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane

C13H20O4 — CID 141309584

IUPAC1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane
SMILESC=COCC(C)(C)C(OC=C)(OC=C)OC=C
InChIInChI=1S/C13H20O4/c1-7-14-11-12(5,6)13(15-8-2,16-9-3)17-10-4/h7-10H,1-4,11H2,5-6H3
InChIKeyRCDBJHGIVYLSNQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.31
Rot. Bonds10

About 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane

1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane (PubChem CID 141309584) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane
PubChem CID141309584
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane
SMILESC=COCC(C)(C)C(OC=C)(OC=C)OC=C
InChIInChI=1S/C13H20O4/c1-7-14-11-12(5,6)13(15-8-2,16-9-3)17-10-4/h7-10H,1-4,11H2,5-6H3
InChIKeyRCDBJHGIVYLSNQ-UHFFFAOYSA-N
XLogP3.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane?
The IUPAC name of 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane (CID 141309584) is 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane?
The canonical SMILES for 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane is C=COCC(C)(C)C(OC=C)(OC=C)OC=C.
What is the InChIKey of 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane?
The InChIKey is RCDBJHGIVYLSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-7-14-11-12(5,6)13(15-8-2,16-9-3)17-10-4/h7-10H,1-4,11H2,5-6H3.
What are the key properties of 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane?
1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane has a molecular weight of 240.30 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrakis(ethenoxy)-2,2-dimethylpropane is sourced from PubChem (CID 141309584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).