ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane

C14H24O — CID 175283052

IUPACethenylcyclohexane;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.C=CC1CCCCC1
InChIInChI=1S/C8H14.C6H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5(3-1)7-6/h2,8H,1,3-7H2;5-6H,1-4H2
InChIKeyPSXPZUOCJMIHBJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.08
Rot. Bonds1

About ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane

ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane (PubChem CID 175283052) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Nameethenylcyclohexane;7-oxabicyclo[4.1.0]heptane
PubChem CID175283052
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethenylcyclohexane;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.C=CC1CCCCC1
InChIInChI=1S/C8H14.C6H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5(3-1)7-6/h2,8H,1,3-7H2;5-6H,1-4H2
InChIKeyPSXPZUOCJMIHBJ-UHFFFAOYSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane?
The IUPAC name of ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane (CID 175283052) is ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane is C1CCC2OC2C1.C=CC1CCCCC1.
What is the InChIKey of ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane?
The InChIKey is PSXPZUOCJMIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C6H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5(3-1)7-6/h2,8H,1,3-7H2;5-6H,1-4H2.
What are the key properties of ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane?
ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane has a molecular weight of 208.34 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 175283052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).