7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

C12H14O2 — CID 23339216

IUPAC7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESC1=CC2=C(OC3CCCCC3)C(=C1)O2
InChIInChI=1S/C12H14O2/c1-2-5-9(6-3-1)13-12-10-7-4-8-11(12)14-10/h4,7-9H,1-3,5-6H2
InChIKeyJJPUKVDFQBFYEP-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.03
Rot. Bonds2

About 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (PubChem CID 23339216) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.

Molecular Properties

Compound Name7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
PubChem CID23339216
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESC1=CC2=C(OC3CCCCC3)C(=C1)O2
InChIInChI=1S/C12H14O2/c1-2-5-9(6-3-1)13-12-10-7-4-8-11(12)14-10/h4,7-9H,1-3,5-6H2
InChIKeyJJPUKVDFQBFYEP-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The IUPAC name of 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (CID 23339216) is 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.
What is the SMILES notation for 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The canonical SMILES for 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is C1=CC2=C(OC3CCCCC3)C(=C1)O2.
What is the InChIKey of 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The InChIKey is JJPUKVDFQBFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-5-9(6-3-1)13-12-10-7-4-8-11(12)14-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene has a molecular weight of 190.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is sourced from PubChem (CID 23339216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).