1,2-bis(ethenoxy)but-2-ene

C8H12O2 — CID 141006113

IUPAC1,2-bis(ethenoxy)but-2-ene
SMILESC=COCC(=CC)OC=C
InChIInChI=1S/C8H12O2/c1-4-8(10-6-3)7-9-5-2/h4-6H,2-3,7H2,1H3
InChIKeyOMEZREBUVJVSEP-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.21
Rot. Bonds5

About 1,2-bis(ethenoxy)but-2-ene

1,2-bis(ethenoxy)but-2-ene (PubChem CID 141006113) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,2-bis(ethenoxy)but-2-ene.

Molecular Properties

Compound Name1,2-bis(ethenoxy)but-2-ene
PubChem CID141006113
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,2-bis(ethenoxy)but-2-ene
SMILESC=COCC(=CC)OC=C
InChIInChI=1S/C8H12O2/c1-4-8(10-6-3)7-9-5-2/h4-6H,2-3,7H2,1H3
InChIKeyOMEZREBUVJVSEP-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.21
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 1,2-bis(ethenoxy)but-2-ene?
The IUPAC name of 1,2-bis(ethenoxy)but-2-ene (CID 141006113) is 1,2-bis(ethenoxy)but-2-ene.
What is the SMILES notation for 1,2-bis(ethenoxy)but-2-ene?
The canonical SMILES for 1,2-bis(ethenoxy)but-2-ene is C=COCC(=CC)OC=C.
What is the InChIKey of 1,2-bis(ethenoxy)but-2-ene?
The InChIKey is OMEZREBUVJVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(10-6-3)7-9-5-2/h4-6H,2-3,7H2,1H3.
What are the key properties of 1,2-bis(ethenoxy)but-2-ene?
1,2-bis(ethenoxy)but-2-ene has a molecular weight of 140.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenoxy)but-2-ene is sourced from PubChem (CID 141006113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).