1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane

C12H20O4 — CID 86226552

IUPAC1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane
SMILESC=COC1CC(OC)C(OC=C)CC1OC
InChIInChI=1S/C12H20O4/c1-5-15-11-7-10(14-4)12(16-6-2)8-9(11)13-3/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyOZMFUBFTQKTROU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds6

About 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane

1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane (PubChem CID 86226552) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane.

Molecular Properties

Compound Name1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane
PubChem CID86226552
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane
SMILESC=COC1CC(OC)C(OC=C)CC1OC
InChIInChI=1S/C12H20O4/c1-5-15-11-7-10(14-4)12(16-6-2)8-9(11)13-3/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyOZMFUBFTQKTROU-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2,5-dimethoxycyclohexane?
The IUPAC name of 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane (CID 86226552) is 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane.
What is the SMILES notation for 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane?
The canonical SMILES for 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane is C=COC1CC(OC)C(OC=C)CC1OC.
What is the InChIKey of 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane?
The InChIKey is OZMFUBFTQKTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-15-11-7-10(14-4)12(16-6-2)8-9(11)13-3/h5-6,9-12H,1-2,7-8H2,3-4H3.
What are the key properties of 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane?
1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane has a molecular weight of 228.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)-2,5-dimethoxycyclohexane is sourced from PubChem (CID 86226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).