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

C11H16O2 — CID 22456453

IUPAC1,4-bis(ethenoxy)-2-methylcyclohexene
SMILESC=COC1=C(C)CC(OC=C)CC1
InChIInChI=1S/C11H16O2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h4-5,10H,1-2,6-8H2,3H3
InChIKeyRYOGTSCNCDVNPN-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.13
Rot. Bonds4

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

1,4-bis(ethenoxy)-2-methylcyclohexene (PubChem CID 22456453) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)-2-methylcyclohexene.

Molecular Properties

Compound Name1,4-bis(ethenoxy)-2-methylcyclohexene
PubChem CID22456453
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,4-bis(ethenoxy)-2-methylcyclohexene
SMILESC=COC1=C(C)CC(OC=C)CC1
InChIInChI=1S/C11H16O2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h4-5,10H,1-2,6-8H2,3H3
InChIKeyRYOGTSCNCDVNPN-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.13
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-methylcyclohexene?
The IUPAC name of 1,4-bis(ethenoxy)-2-methylcyclohexene (CID 22456453) is 1,4-bis(ethenoxy)-2-methylcyclohexene.
What is the SMILES notation for 1,4-bis(ethenoxy)-2-methylcyclohexene?
The canonical SMILES for 1,4-bis(ethenoxy)-2-methylcyclohexene is C=COC1=C(C)CC(OC=C)CC1.
What is the InChIKey of 1,4-bis(ethenoxy)-2-methylcyclohexene?
The InChIKey is RYOGTSCNCDVNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h4-5,10H,1-2,6-8H2,3H3.
What are the key properties of 1,4-bis(ethenoxy)-2-methylcyclohexene?
1,4-bis(ethenoxy)-2-methylcyclohexene has a molecular weight of 180.25 g/mol, XLogP of 3.13, 4 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-methylcyclohexene is sourced from PubChem (CID 22456453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).