1,4-bis(ethenoxymethyl)cyclohexene

C12H18O2 — CID 57204669

IUPAC1,4-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1=CCC(COC=C)CC1
InChIInChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,12H,1-2,6-10H2
InChIKeyDMASCGYUSSAGDF-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.03
Rot. Bonds6

About 1,4-bis(ethenoxymethyl)cyclohexene

1,4-bis(ethenoxymethyl)cyclohexene (PubChem CID 57204669) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1,4-bis(ethenoxymethyl)cyclohexene.

Molecular Properties

Compound Name1,4-bis(ethenoxymethyl)cyclohexene
PubChem CID57204669
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1,4-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1=CCC(COC=C)CC1
InChIInChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,12H,1-2,6-10H2
InChIKeyDMASCGYUSSAGDF-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenoxymethyl)cyclohexene?
The IUPAC name of 1,4-bis(ethenoxymethyl)cyclohexene (CID 57204669) is 1,4-bis(ethenoxymethyl)cyclohexene.
What is the SMILES notation for 1,4-bis(ethenoxymethyl)cyclohexene?
The canonical SMILES for 1,4-bis(ethenoxymethyl)cyclohexene is C=COCC1=CCC(COC=C)CC1.
What is the InChIKey of 1,4-bis(ethenoxymethyl)cyclohexene?
The InChIKey is DMASCGYUSSAGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,12H,1-2,6-10H2.
What are the key properties of 1,4-bis(ethenoxymethyl)cyclohexene?
1,4-bis(ethenoxymethyl)cyclohexene has a molecular weight of 194.27 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxymethyl)cyclohexene is sourced from PubChem (CID 57204669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).