5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene

C11H16O — CID 174378395

IUPAC5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene
SMILESCCOC=CC1(C)C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-12-10-9-11(2)7-5-4-6-8-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyYCLQXXIUCOIJPE-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.06
Rot. Bonds3

About 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene

5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene (PubChem CID 174378395) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene
PubChem CID174378395
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene
SMILESCCOC=CC1(C)C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-12-10-9-11(2)7-5-4-6-8-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyYCLQXXIUCOIJPE-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene (CID 174378395) is 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene is CCOC=CC1(C)C=CC=CC1.
What is the InChIKey of 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is YCLQXXIUCOIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-12-10-9-11(2)7-5-4-6-8-11/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene?
5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 164.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethenyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 174378395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).