1-(1-ethoxyethenyl)cyclohexene

C10H16O — CID 14296312

IUPAC1-(1-ethoxyethenyl)cyclohexene
SMILESC=C(OCC)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-3-11-9(2)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3
InChIKeyVGCOEYNSZBOGLX-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds3

About 1-(1-ethoxyethenyl)cyclohexene

1-(1-ethoxyethenyl)cyclohexene (PubChem CID 14296312) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)cyclohexene
PubChem CID14296312
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(1-ethoxyethenyl)cyclohexene
SMILESC=C(OCC)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-3-11-9(2)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3
InChIKeyVGCOEYNSZBOGLX-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
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 1-(1-ethoxyethenyl)cyclohexene?
The IUPAC name of 1-(1-ethoxyethenyl)cyclohexene (CID 14296312) is 1-(1-ethoxyethenyl)cyclohexene.
What is the SMILES notation for 1-(1-ethoxyethenyl)cyclohexene?
The canonical SMILES for 1-(1-ethoxyethenyl)cyclohexene is C=C(OCC)C1=CCCCC1.
What is the InChIKey of 1-(1-ethoxyethenyl)cyclohexene?
The InChIKey is VGCOEYNSZBOGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-11-9(2)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3.
What are the key properties of 1-(1-ethoxyethenyl)cyclohexene?
1-(1-ethoxyethenyl)cyclohexene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)cyclohexene is sourced from PubChem (CID 14296312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).