1-ethenoxy-2-methoxypropane

C6H12O2 — CID 21183375

IUPAC1-ethenoxy-2-methoxypropane
SMILESC=COCC(C)OC
InChIInChI=1S/C6H12O2/c1-4-8-5-6(2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyAXKVQXODWGELSA-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds4

About 1-ethenoxy-2-methoxypropane

1-ethenoxy-2-methoxypropane (PubChem CID 21183375) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethenoxy-2-methoxypropane.

Molecular Properties

Compound Name1-ethenoxy-2-methoxypropane
PubChem CID21183375
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-ethenoxy-2-methoxypropane
SMILESC=COCC(C)OC
InChIInChI=1S/C6H12O2/c1-4-8-5-6(2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyAXKVQXODWGELSA-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
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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Related Compounds

1-Methoxy-2-vinyloxyethane
CID 15457
Propane, 2-(ethenyloxy)-
CID 13557
((Vinyloxy)methyl)oxirane
CID 107144
2-(Ethenyloxy)butane
CID 13172912
1,2,3-Tris(ethenyloxy)propane
CID 13516599
2-Methyl-2,3-dihydro-1,4-dioxine
CID 13977927
1,2-Bis(ethenyloxy)propane
CID 15570361
4-Methyl-3,6-dioxaoct-7-ene
CID 17934856
Ethoxy vinyl glycidyl ether
CID 129856406
1-Ethenoxy-1-fluoro-2-propoxypropane
CID 88059157
1-Ethenoxy-3-fluoro-2-propoxypropane
CID 88059158
1-(2-Fluoroethenoxy)-2-propoxypropane
CID 141404300

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methoxypropane?
The IUPAC name of 1-ethenoxy-2-methoxypropane (CID 21183375) is 1-ethenoxy-2-methoxypropane.
What is the SMILES notation for 1-ethenoxy-2-methoxypropane?
The canonical SMILES for 1-ethenoxy-2-methoxypropane is C=COCC(C)OC.
What is the InChIKey of 1-ethenoxy-2-methoxypropane?
The InChIKey is AXKVQXODWGELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-8-5-6(2)7-3/h4,6H,1,5H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methoxypropane?
1-ethenoxy-2-methoxypropane has a molecular weight of 116.16 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methoxypropane is sourced from PubChem (CID 21183375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).