5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene

C15H24O2 — CID 91468107

IUPAC5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2OCCOC1CCCCC1
InChIInChI=1S/C15H24O2/c1-2-4-14(5-3-1)16-8-9-17-15-11-12-6-7-13(15)10-12/h6-7,12-15H,1-5,8-11H2
InChIKeyAPSXNKOCLRZAOE-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.32
Rot. Bonds5

About 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene

5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 91468107) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID91468107
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2OCCOC1CCCCC1
InChIInChI=1S/C15H24O2/c1-2-4-14(5-3-1)16-8-9-17-15-11-12-6-7-13(15)10-12/h6-7,12-15H,1-5,8-11H2
InChIKeyAPSXNKOCLRZAOE-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene (CID 91468107) is 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2OCCOC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is APSXNKOCLRZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-4-14(5-3-1)16-8-9-17-15-11-12-6-7-13(15)10-12/h6-7,12-15H,1-5,8-11H2.
What are the key properties of 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 236.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 91468107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).