5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene

C11H14O — CID 86227164

IUPAC5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C(=C)OCC
InChIInChI=1S/C11H14O/c1-4-12-10(3)11-8-6-5-7-9(11)2/h5-8,11H,2-4H2,1H3
InChIKeyCJZDSXCCMXALEE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.84
Rot. Bonds3

About 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene

5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene (PubChem CID 86227164) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
PubChem CID86227164
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C(=C)OCC
InChIInChI=1S/C11H14O/c1-4-12-10(3)11-8-6-5-7-9(11)2/h5-8,11H,2-4H2,1H3
InChIKeyCJZDSXCCMXALEE-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.84
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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Related Compounds

2-Ethyl-5-methyl-5,6-dihydro-(4h)-pyran
CID 91167446
3-methyl-4aH-isochromene
CID 91227635
2-Fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
CID 89270544
5-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 89313764
5-Fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 142855275
1-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 156227180
5-Fluoro-1-(2-methylpropoxy)cyclohexa-1,3-diene
CID 169948315
1-Ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene
CID 178167476
1-Methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
1-Methylene-4-methoxymethyl-2,5-cyclohexadiene
CID 12596346
(4R)-6-ethenyl-4-methyl-3,4-dihydro-2H-pyran
CID 24827229

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene (CID 86227164) is 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene is C=C1C=CC=CC1C(=C)OCC.
What is the InChIKey of 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene?
The InChIKey is CJZDSXCCMXALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-4-12-10(3)11-8-6-5-7-9(11)2/h5-8,11H,2-4H2,1H3.
What are the key properties of 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene?
5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene has a molecular weight of 162.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 86227164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).