1-(2-ethenoxyethenyl)-3-ethenylcyclohexane

C12H18O — CID 175170887

IUPAC1-(2-ethenoxyethenyl)-3-ethenylcyclohexane
SMILESC=COC=CC1CCCC(C=C)C1
InChIInChI=1S/C12H18O/c1-3-11-6-5-7-12(10-11)8-9-13-4-2/h3-4,8-9,11-12H,1-2,5-7,10H2
InChIKeyYCPRRRLNBDDRLW-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane

1-(2-ethenoxyethenyl)-3-ethenylcyclohexane (PubChem CID 175170887) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane.

Molecular Properties

Compound Name1-(2-ethenoxyethenyl)-3-ethenylcyclohexane
PubChem CID175170887
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2-ethenoxyethenyl)-3-ethenylcyclohexane
SMILESC=COC=CC1CCCC(C=C)C1
InChIInChI=1S/C12H18O/c1-3-11-6-5-7-12(10-11)8-9-13-4-2/h3-4,8-9,11-12H,1-2,5-7,10H2
InChIKeyYCPRRRLNBDDRLW-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.65
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 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane?
The IUPAC name of 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane (CID 175170887) is 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane.
What is the SMILES notation for 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane?
The canonical SMILES for 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane is C=COC=CC1CCCC(C=C)C1.
What is the InChIKey of 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane?
The InChIKey is YCPRRRLNBDDRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-11-6-5-7-12(10-11)8-9-13-4-2/h3-4,8-9,11-12H,1-2,5-7,10H2.
What are the key properties of 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane?
1-(2-ethenoxyethenyl)-3-ethenylcyclohexane has a molecular weight of 178.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethenyl)-3-ethenylcyclohexane is sourced from PubChem (CID 175170887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).