5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene

C12H20 — CID 154358020

IUPAC5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1C2C=CC(C2)C1CC
InChIInChI=1S/C12H20/c1-3-5-12-10-7-6-9(8-10)11(12)4-2/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyYJJBJMQDPWWITD-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds3

About 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene

5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene (PubChem CID 154358020) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
PubChem CID154358020
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1C2C=CC(C2)C1CC
InChIInChI=1S/C12H20/c1-3-5-12-10-7-6-9(8-10)11(12)4-2/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyYJJBJMQDPWWITD-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748344
5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
CID 59748219
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 59748077
3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol
CID 89074143
4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
CID 59748366
(3-propyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748330
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593
N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
CID 139890009
(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748190
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748331

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene (CID 154358020) is 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene is CCCC1C2C=CC(C2)C1CC.
What is the InChIKey of 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene?
The InChIKey is YJJBJMQDPWWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-12-10-7-6-9(8-10)11(12)4-2/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene?
5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene has a molecular weight of 164.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 154358020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).