1-(ethoxymethyl)cyclohexene

C9H16O — CID 12542386

IUPAC1-(ethoxymethyl)cyclohexene
SMILESCCOCC1=CCCCC1
InChIInChI=1S/C9H16O/c1-2-10-8-9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyVXZDBXNQCXZYMU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds3

About 1-(ethoxymethyl)cyclohexene

1-(ethoxymethyl)cyclohexene (PubChem CID 12542386) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(ethoxymethyl)cyclohexene.

Molecular Properties

Compound Name1-(ethoxymethyl)cyclohexene
PubChem CID12542386
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(ethoxymethyl)cyclohexene
SMILESCCOCC1=CCCCC1
InChIInChI=1S/C9H16O/c1-2-10-8-9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyVXZDBXNQCXZYMU-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)cyclohexene?
The IUPAC name of 1-(ethoxymethyl)cyclohexene (CID 12542386) is 1-(ethoxymethyl)cyclohexene.
What is the SMILES notation for 1-(ethoxymethyl)cyclohexene?
The canonical SMILES for 1-(ethoxymethyl)cyclohexene is CCOCC1=CCCCC1.
What is the InChIKey of 1-(ethoxymethyl)cyclohexene?
The InChIKey is VXZDBXNQCXZYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-10-8-9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 1-(ethoxymethyl)cyclohexene?
1-(ethoxymethyl)cyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)cyclohexene is sourced from PubChem (CID 12542386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).