4-[(E)-2-methoxyethenyl]cyclohexene

C9H14O — CID 11007976

IUPAC4-[(E)-2-methoxyethenyl]cyclohexene
SMILESCO/C=C/C1CC=CCC1
InChIInChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/b8-7+
InChIKeyXTTOXRMOLMTYHS-BQYQJAHWSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds2

About 4-[(E)-2-methoxyethenyl]cyclohexene

4-[(E)-2-methoxyethenyl]cyclohexene (PubChem CID 11007976) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-[(E)-2-methoxyethenyl]cyclohexene.

Molecular Properties

Compound Name4-[(E)-2-methoxyethenyl]cyclohexene
PubChem CID11007976
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-[(E)-2-methoxyethenyl]cyclohexene
SMILESCO/C=C/C1CC=CCC1
InChIInChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/b8-7+
InChIKeyXTTOXRMOLMTYHS-BQYQJAHWSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

4-(Methoxymethyl)cyclohexene
CID 22507470
4-butyl-4H-pyran
CID 15612482
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
2-Methoxyethenylcyclohexane
CID 57065092
4-(Ethoxymethyl)cyclohexene
CID 85982053
1-Ethoxy-3,7-dimethylocta-1,6-diene
CID 149163078
(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
CID 10535449
4-butan-2-yl-4H-pyran
CID 10725412
[(E)-2-ethoxyethenyl]cyclohexane
CID 13163949
(1E)-1-methoxy-3,7,11-trimethyldodeca-1,6,10-triene
CID 90986367
(E)-1-ethoxy-3-ethylhex-1-ene
CID 134906000

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methoxyethenyl]cyclohexene?
The IUPAC name of 4-[(E)-2-methoxyethenyl]cyclohexene (CID 11007976) is 4-[(E)-2-methoxyethenyl]cyclohexene.
What is the SMILES notation for 4-[(E)-2-methoxyethenyl]cyclohexene?
The canonical SMILES for 4-[(E)-2-methoxyethenyl]cyclohexene is CO/C=C/C1CC=CCC1.
What is the InChIKey of 4-[(E)-2-methoxyethenyl]cyclohexene?
The InChIKey is XTTOXRMOLMTYHS-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/b8-7+.
What are the key properties of 4-[(E)-2-methoxyethenyl]cyclohexene?
4-[(E)-2-methoxyethenyl]cyclohexene has a molecular weight of 138.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methoxyethenyl]cyclohexene is sourced from PubChem (CID 11007976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).