4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene

C14H22O2 — CID 10513242

IUPAC4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene
SMILESC=CCOC1(C(=C)OCC)CC=C(C)CC1
InChIInChI=1S/C14H22O2/c1-5-11-16-14(13(4)15-6-2)9-7-12(3)8-10-14/h5,7H,1,4,6,8-11H2,2-3H3
InChIKeyJUXCLOSZTZZJIG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds6

About 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene

4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene (PubChem CID 10513242) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene
PubChem CID10513242
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene
SMILESC=CCOC1(C(=C)OCC)CC=C(C)CC1
InChIInChI=1S/C14H22O2/c1-5-11-16-14(13(4)15-6-2)9-7-12(3)8-10-14/h5,7H,1,4,6,8-11H2,2-3H3
InChIKeyJUXCLOSZTZZJIG-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
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 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene?
The IUPAC name of 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene (CID 10513242) is 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene.
What is the SMILES notation for 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene?
The canonical SMILES for 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene is C=CCOC1(C(=C)OCC)CC=C(C)CC1.
What is the InChIKey of 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene?
The InChIKey is JUXCLOSZTZZJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-11-16-14(13(4)15-6-2)9-7-12(3)8-10-14/h5,7H,1,4,6,8-11H2,2-3H3.
What are the key properties of 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene?
4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene has a molecular weight of 222.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-1-methyl-4-prop-2-enoxycyclohexene is sourced from PubChem (CID 10513242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).