2-(2-ethenoxypropoxy)-1-methoxypropane

C9H18O3 — CID 22498088

IUPAC2-(2-ethenoxypropoxy)-1-methoxypropane
SMILESC=COC(C)COC(C)COC
InChIInChI=1S/C9H18O3/c1-5-11-9(3)7-12-8(2)6-10-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyZXMDYLOHJHYYKU-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.59
Rot. Bonds7

About 2-(2-ethenoxypropoxy)-1-methoxypropane

2-(2-ethenoxypropoxy)-1-methoxypropane (PubChem CID 22498088) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(2-ethenoxypropoxy)-1-methoxypropane.

Molecular Properties

Compound Name2-(2-ethenoxypropoxy)-1-methoxypropane
PubChem CID22498088
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(2-ethenoxypropoxy)-1-methoxypropane
SMILESC=COC(C)COC(C)COC
InChIInChI=1S/C9H18O3/c1-5-11-9(3)7-12-8(2)6-10-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyZXMDYLOHJHYYKU-UHFFFAOYSA-N
XLogP1.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.59
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-(2-ethenoxypropoxy)-1-methoxypropane?
The IUPAC name of 2-(2-ethenoxypropoxy)-1-methoxypropane (CID 22498088) is 2-(2-ethenoxypropoxy)-1-methoxypropane.
What is the SMILES notation for 2-(2-ethenoxypropoxy)-1-methoxypropane?
The canonical SMILES for 2-(2-ethenoxypropoxy)-1-methoxypropane is C=COC(C)COC(C)COC.
What is the InChIKey of 2-(2-ethenoxypropoxy)-1-methoxypropane?
The InChIKey is ZXMDYLOHJHYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-11-9(3)7-12-8(2)6-10-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-ethenoxypropoxy)-1-methoxypropane?
2-(2-ethenoxypropoxy)-1-methoxypropane has a molecular weight of 174.24 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxypropoxy)-1-methoxypropane is sourced from PubChem (CID 22498088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).