2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene

C9H12O — CID 89357310

IUPAC2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1
InChIInChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/b8-7+
InChIKeyVYFLRNIXNWXALR-BQYQJAHWSA-N
MW136.19 g/mol
LogP2.42
Rot. Bonds2

About 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene

2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene (PubChem CID 89357310) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
PubChem CID89357310
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1
InChIInChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/b8-7+
InChIKeyVYFLRNIXNWXALR-BQYQJAHWSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.42
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 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene (CID 89357310) is 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene is CO/C=C/C1=CCCC=C1.
What is the InChIKey of 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The InChIKey is VYFLRNIXNWXALR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/b8-7+.
What are the key properties of 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene has a molecular weight of 136.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 89357310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).