1,4-bis(ethenoxy)-2-ethenylbenzene

C12H12O2 — CID 174997076

IUPAC1,4-bis(ethenoxy)-2-ethenylbenzene
SMILESC=COc1ccc(OC=C)c(C=C)c1
InChIInChI=1S/C12H12O2/c1-4-10-9-11(13-5-2)7-8-12(10)14-6-3/h4-9H,1-3H2
InChIKeyVTNCPDMWVRXXKS-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.37
Rot. Bonds5

About 1,4-bis(ethenoxy)-2-ethenylbenzene

1,4-bis(ethenoxy)-2-ethenylbenzene (PubChem CID 174997076) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)-2-ethenylbenzene.

Molecular Properties

Compound Name1,4-bis(ethenoxy)-2-ethenylbenzene
PubChem CID174997076
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1,4-bis(ethenoxy)-2-ethenylbenzene
SMILESC=COc1ccc(OC=C)c(C=C)c1
InChIInChI=1S/C12H12O2/c1-4-10-9-11(13-5-2)7-8-12(10)14-6-3/h4-9H,1-3H2
InChIKeyVTNCPDMWVRXXKS-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.37
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 1,4-bis(ethenoxy)-2-ethenylbenzene?
The IUPAC name of 1,4-bis(ethenoxy)-2-ethenylbenzene (CID 174997076) is 1,4-bis(ethenoxy)-2-ethenylbenzene.
What is the SMILES notation for 1,4-bis(ethenoxy)-2-ethenylbenzene?
The canonical SMILES for 1,4-bis(ethenoxy)-2-ethenylbenzene is C=COc1ccc(OC=C)c(C=C)c1.
What is the InChIKey of 1,4-bis(ethenoxy)-2-ethenylbenzene?
The InChIKey is VTNCPDMWVRXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-4-10-9-11(13-5-2)7-8-12(10)14-6-3/h4-9H,1-3H2.
What are the key properties of 1,4-bis(ethenoxy)-2-ethenylbenzene?
1,4-bis(ethenoxy)-2-ethenylbenzene has a molecular weight of 188.23 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)-2-ethenylbenzene is sourced from PubChem (CID 174997076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).