cyclohexene;methoxyethene

C12H22O2 — CID 89422432

IUPACcyclohexene;methoxyethene
SMILESC1=CCCCC1.C=COC.C=COC
InChIInChI=1S/C6H10.2C3H6O/c1-2-4-6-5-3-1;2*1-3-4-2/h1-2H,3-6H2;2*3H,1H2,2H3
InChIKeyMYXRZJPMTNGTKU-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.67
Rot. Bonds2

About cyclohexene;methoxyethene

cyclohexene;methoxyethene (PubChem CID 89422432) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclohexene;methoxyethene.

Molecular Properties

Compound Namecyclohexene;methoxyethene
PubChem CID89422432
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclohexene;methoxyethene
SMILESC1=CCCCC1.C=COC.C=COC
InChIInChI=1S/C6H10.2C3H6O/c1-2-4-6-5-3-1;2*1-3-4-2/h1-2H,3-6H2;2*3H,1H2,2H3
InChIKeyMYXRZJPMTNGTKU-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohexene;methoxyethene?
The IUPAC name of cyclohexene;methoxyethene (CID 89422432) is cyclohexene;methoxyethene.
What is the SMILES notation for cyclohexene;methoxyethene?
The canonical SMILES for cyclohexene;methoxyethene is C1=CCCCC1.C=COC.C=COC.
What is the InChIKey of cyclohexene;methoxyethene?
The InChIKey is MYXRZJPMTNGTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.2C3H6O/c1-2-4-6-5-3-1;2*1-3-4-2/h1-2H,3-6H2;2*3H,1H2,2H3.
What are the key properties of cyclohexene;methoxyethene?
cyclohexene;methoxyethene has a molecular weight of 198.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;methoxyethene is sourced from PubChem (CID 89422432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).