1-ethenoxy-3-prop-1-enoxypropane

C8H14O2 — CID 87865776

IUPAC1-ethenoxy-3-prop-1-enoxypropane
SMILESC=COCCCOC=CC
InChIInChI=1S/C8H14O2/c1-3-6-10-8-5-7-9-4-2/h3-4,6H,2,5,7-8H2,1H3
InChIKeyZFBYHKKZPIDIGR-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds6

About 1-ethenoxy-3-prop-1-enoxypropane

1-ethenoxy-3-prop-1-enoxypropane (PubChem CID 87865776) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethenoxy-3-prop-1-enoxypropane.

Molecular Properties

Compound Name1-ethenoxy-3-prop-1-enoxypropane
PubChem CID87865776
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-ethenoxy-3-prop-1-enoxypropane
SMILESC=COCCCOC=CC
InChIInChI=1S/C8H14O2/c1-3-6-10-8-5-7-9-4-2/h3-4,6H,2,5,7-8H2,1H3
InChIKeyZFBYHKKZPIDIGR-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-prop-1-enoxypropane?
The IUPAC name of 1-ethenoxy-3-prop-1-enoxypropane (CID 87865776) is 1-ethenoxy-3-prop-1-enoxypropane.
What is the SMILES notation for 1-ethenoxy-3-prop-1-enoxypropane?
The canonical SMILES for 1-ethenoxy-3-prop-1-enoxypropane is C=COCCCOC=CC.
What is the InChIKey of 1-ethenoxy-3-prop-1-enoxypropane?
The InChIKey is ZFBYHKKZPIDIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-6-10-8-5-7-9-4-2/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 1-ethenoxy-3-prop-1-enoxypropane?
1-ethenoxy-3-prop-1-enoxypropane has a molecular weight of 142.20 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-prop-1-enoxypropane is sourced from PubChem (CID 87865776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).