5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene

C17H26OPd — CID 143325802

IUPAC5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene
SMILESCCC1C2C=CC(C2)C1OC.CCCC1=C=CC1.[Pd]
InChIInChI=1S/C10H16O.C7H10.Pd/c1-3-9-7-4-5-8(6-7)10(9)11-2;1-2-4-7-5-3-6-7;/h4-5,7-10H,3,6H2,1-2H3;3H,2,4-5H2,1H3;
InChIKeyQMUYEYYVVRJPRM-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.50
Rot. Bonds4

About 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene

5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene (PubChem CID 143325802) has the molecular formula C17H26OPd and a molecular weight of 352.81 g/mol. Its IUPAC name is 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene.

Molecular Properties

Compound Name5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene
PubChem CID143325802
Molecular FormulaC17H26OPd
Molecular Weight352.81 g/mol
Exact Mass352.10
IUPAC Name5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene
SMILESCCC1C2C=CC(C2)C1OC.CCCC1=C=CC1.[Pd]
InChIInChI=1S/C10H16O.C7H10.Pd/c1-3-9-7-4-5-8(6-7)10(9)11-2;1-2-4-7-5-3-6-7;/h4-5,7-10H,3,6H2,1-2H3;3H,2,4-5H2,1H3;
InChIKeyQMUYEYYVVRJPRM-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748190
5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
CID 154358020
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 59748077
(3-propyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748330
5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
CID 59748219
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593
(3S,4S)-3,4-bis(ethoxymethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 71024240
2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748344
[(1R,2S,3R,4S)-3-[[(2S)-2-aminopropanoyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl (2S)-2-aminopropanoate
CID 102424362
trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethylsulfanyl]propyl]silane
CID 20650000
1-[(1S,2R,3S,4R)-3-methoxy-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 101012303
2-hydroxyethyl 3-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68584016

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene?
The IUPAC name of 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene (CID 143325802) is 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene.
What is the SMILES notation for 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene?
The canonical SMILES for 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene is CCC1C2C=CC(C2)C1OC.CCCC1=C=CC1.[Pd].
What is the InChIKey of 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene?
The InChIKey is QMUYEYYVVRJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C7H10.Pd/c1-3-9-7-4-5-8(6-7)10(9)11-2;1-2-4-7-5-3-6-7;/h4-5,7-10H,3,6H2,1-2H3;3H,2,4-5H2,1H3;.
What are the key properties of 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene?
5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene has a molecular weight of 352.81 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene is sourced from PubChem (CID 143325802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).