5-cyclohexyloxybicyclo[2.2.1]hept-2-ene

C13H20O — CID 22754161

IUPAC5-cyclohexyloxybicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2OC1CCCCC1
InChIInChI=1S/C13H20O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2
InChIKeyOSTARTHCSIVLSC-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.30
Rot. Bonds2

About 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene

5-cyclohexyloxybicyclo[2.2.1]hept-2-ene (PubChem CID 22754161) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-cyclohexyloxybicyclo[2.2.1]hept-2-ene
PubChem CID22754161
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-cyclohexyloxybicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2OC1CCCCC1
InChIInChI=1S/C13H20O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2
InChIKeyOSTARTHCSIVLSC-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene (CID 22754161) is 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2OC1CCCCC1.
What is the InChIKey of 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene?
The InChIKey is OSTARTHCSIVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2.
What are the key properties of 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene?
5-cyclohexyloxybicyclo[2.2.1]hept-2-ene has a molecular weight of 192.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22754161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).