1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane

C14H22O — CID 175283051

IUPAC1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC(C23CCCCC2O3)CC1
InChIInChI=1S/C14H22O/c1-2-11-6-8-12(9-7-11)14-10-4-3-5-13(14)15-14/h2,11-13H,1,3-10H2
InChIKeyXLZUVNPZPTWVBY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds2

About 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane

1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 175283051) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID175283051
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane
SMILESC=CC1CCC(C23CCCCC2O3)CC1
InChIInChI=1S/C14H22O/c1-2-11-6-8-12(9-7-11)14-10-4-3-5-13(14)15-14/h2,11-13H,1,3-10H2
InChIKeyXLZUVNPZPTWVBY-UHFFFAOYSA-N
XLogP3.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
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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Related Compounds

(1R,2R,4S,6R)-7,7-dimethyl-2-pent-4-enyl-3-oxatricyclo[4.1.1.02,4]octane
CID 135038751
2-Prop-2-enyl-7-oxabicyclo[4.1.0]heptane
CID 12476119
1-Pent-4-enyl-7-oxabicyclo[4.1.0]heptane
CID 22401788
3-Cyclohex-3-en-1-yl-7-oxabicyclo[4.1.0]heptane
CID 59281681
2-But-3-enyl-3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]oxirane
CID 59931269
4-Ethenyl-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
CID 87452174
2-Ethenyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
CID 87612041
3-Pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane
CID 89105409
(2R)-2-(4-ethenylcyclohexyl)oxirane
CID 89198314
4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 89297886
2-(4-Ethenylcyclohexyl)oxirane
CID 101316200
2-[4-(4-Ethenylcyclohexyl)cyclohexyl]-3-propyloxirane
CID 141735445

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane (CID 175283051) is 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane is C=CC1CCC(C23CCCCC2O3)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is XLZUVNPZPTWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-11-6-8-12(9-7-11)14-10-4-3-5-13(14)15-14/h2,11-13H,1,3-10H2.
What are the key properties of 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane?
1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 206.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 175283051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).