2,5-bis(ethenoxy)-2,3,5-trimethylhexane

C13H24O2 — CID 126747729

IUPAC2,5-bis(ethenoxy)-2,3,5-trimethylhexane
SMILESC=COC(C)(C)CC(C)C(C)(C)OC=C
InChIInChI=1S/C13H24O2/c1-8-14-12(4,5)10-11(3)13(6,7)15-9-2/h8-9,11H,1-2,10H2,3-7H3
InChIKeyRWXQBDSAEAOFMH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.89
Rot. Bonds7

About 2,5-bis(ethenoxy)-2,3,5-trimethylhexane

2,5-bis(ethenoxy)-2,3,5-trimethylhexane (PubChem CID 126747729) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,5-bis(ethenoxy)-2,3,5-trimethylhexane.

Molecular Properties

Compound Name2,5-bis(ethenoxy)-2,3,5-trimethylhexane
PubChem CID126747729
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,5-bis(ethenoxy)-2,3,5-trimethylhexane
SMILESC=COC(C)(C)CC(C)C(C)(C)OC=C
InChIInChI=1S/C13H24O2/c1-8-14-12(4,5)10-11(3)13(6,7)15-9-2/h8-9,11H,1-2,10H2,3-7H3
InChIKeyRWXQBDSAEAOFMH-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenoxy)-2,3,5-trimethylhexane?
The IUPAC name of 2,5-bis(ethenoxy)-2,3,5-trimethylhexane (CID 126747729) is 2,5-bis(ethenoxy)-2,3,5-trimethylhexane.
What is the SMILES notation for 2,5-bis(ethenoxy)-2,3,5-trimethylhexane?
The canonical SMILES for 2,5-bis(ethenoxy)-2,3,5-trimethylhexane is C=COC(C)(C)CC(C)C(C)(C)OC=C.
What is the InChIKey of 2,5-bis(ethenoxy)-2,3,5-trimethylhexane?
The InChIKey is RWXQBDSAEAOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-8-14-12(4,5)10-11(3)13(6,7)15-9-2/h8-9,11H,1-2,10H2,3-7H3.
What are the key properties of 2,5-bis(ethenoxy)-2,3,5-trimethylhexane?
2,5-bis(ethenoxy)-2,3,5-trimethylhexane has a molecular weight of 212.33 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenoxy)-2,3,5-trimethylhexane is sourced from PubChem (CID 126747729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).