3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane

C15H26O — CID 23158031

IUPAC3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CCC(CCCC2CCC3OC3C2)CC1
InChIInChI=1S/C15H26O/c1-2-5-12(6-3-1)7-4-8-13-9-10-14-15(11-13)16-14/h12-15H,1-11H2
InChIKeyFTBREDISLKMKPZ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.30
Rot. Bonds4

About 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane

3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 23158031) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID23158031
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CCC(CCCC2CCC3OC3C2)CC1
InChIInChI=1S/C15H26O/c1-2-5-12(6-3-1)7-4-8-13-9-10-14-15(11-13)16-14/h12-15H,1-11H2
InChIKeyFTBREDISLKMKPZ-UHFFFAOYSA-N
XLogP4.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane (CID 23158031) is 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane is C1CCC(CCCC2CCC3OC3C2)CC1.
What is the InChIKey of 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is FTBREDISLKMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-5-12(6-3-1)7-4-8-13-9-10-14-15(11-13)16-14/h12-15H,1-11H2.
What are the key properties of 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane?
3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 222.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylpropyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 23158031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).