4-(ethenoxymethyl)cyclohexene

C9H14O — CID 15731378

IUPAC4-(ethenoxymethyl)cyclohexene
SMILESC=COCC1CC=CCC1
InChIInChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2
InChIKeyUPILKTWUJZEWAG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds3

About 4-(ethenoxymethyl)cyclohexene

4-(ethenoxymethyl)cyclohexene (PubChem CID 15731378) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-(ethenoxymethyl)cyclohexene.

Molecular Properties

Compound Name4-(ethenoxymethyl)cyclohexene
PubChem CID15731378
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-(ethenoxymethyl)cyclohexene
SMILESC=COCC1CC=CCC1
InChIInChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2
InChIKeyUPILKTWUJZEWAG-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)cyclohexene?
The IUPAC name of 4-(ethenoxymethyl)cyclohexene (CID 15731378) is 4-(ethenoxymethyl)cyclohexene.
What is the SMILES notation for 4-(ethenoxymethyl)cyclohexene?
The canonical SMILES for 4-(ethenoxymethyl)cyclohexene is C=COCC1CC=CCC1.
What is the InChIKey of 4-(ethenoxymethyl)cyclohexene?
The InChIKey is UPILKTWUJZEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2.
What are the key properties of 4-(ethenoxymethyl)cyclohexene?
4-(ethenoxymethyl)cyclohexene has a molecular weight of 138.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)cyclohexene is sourced from PubChem (CID 15731378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).