5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene

C15H24O2 — CID 22991726

IUPAC5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCC(OC1CCCCC1)OC1CC2C=CC1C2
InChIInChI=1S/C15H24O2/c1-11(16-14-5-3-2-4-6-14)17-15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3
InChIKeyQKDXXCZORAFPQK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.66
Rot. Bonds4

About 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene

5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 22991726) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID22991726
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCC(OC1CCCCC1)OC1CC2C=CC1C2
InChIInChI=1S/C15H24O2/c1-11(16-14-5-3-2-4-6-14)17-15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3
InChIKeyQKDXXCZORAFPQK-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene (CID 22991726) is 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene is CC(OC1CCCCC1)OC1CC2C=CC1C2.
What is the InChIKey of 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is QKDXXCZORAFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(16-14-5-3-2-4-6-14)17-15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3.
What are the key properties of 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene?
5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 236.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22991726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).