2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane

C13H26O3 — CID 88894252

IUPAC2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
SMILESC=COCC(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H26O3/c1-8-14-9-11(16-13(5,6)7)10-15-12(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyLMADHRWIOLIICP-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds6

About 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane

2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane (PubChem CID 88894252) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
PubChem CID88894252
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
SMILESC=COCC(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H26O3/c1-8-14-9-11(16-13(5,6)7)10-15-12(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyLMADHRWIOLIICP-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The IUPAC name of 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane (CID 88894252) is 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane.
What is the SMILES notation for 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The canonical SMILES for 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane is C=COCC(COC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The InChIKey is LMADHRWIOLIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-8-14-9-11(16-13(5,6)7)10-15-12(2,3)4/h8,11H,1,9-10H2,2-7H3.
What are the key properties of 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane has a molecular weight of 230.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane is sourced from PubChem (CID 88894252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).