2-methoxy-5-propylcyclohepta-1,3,5-triene

C11H16O — CID 143063211

IUPAC2-methoxy-5-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=C(OC)C=C1
InChIInChI=1S/C11H16O/c1-3-5-10-6-4-7-11(12-2)9-8-10/h6-9H,3-5H2,1-2H3
InChIKeyUEHPDZQJZDWYQO-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds3

About 2-methoxy-5-propylcyclohepta-1,3,5-triene

2-methoxy-5-propylcyclohepta-1,3,5-triene (PubChem CID 143063211) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methoxy-5-propylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-methoxy-5-propylcyclohepta-1,3,5-triene
PubChem CID143063211
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methoxy-5-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=C(OC)C=C1
InChIInChI=1S/C11H16O/c1-3-5-10-6-4-7-11(12-2)9-8-10/h6-9H,3-5H2,1-2H3
InChIKeyUEHPDZQJZDWYQO-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propylcyclohepta-1,3,5-triene?
The IUPAC name of 2-methoxy-5-propylcyclohepta-1,3,5-triene (CID 143063211) is 2-methoxy-5-propylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-methoxy-5-propylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-methoxy-5-propylcyclohepta-1,3,5-triene is CCCC1=CCC=C(OC)C=C1.
What is the InChIKey of 2-methoxy-5-propylcyclohepta-1,3,5-triene?
The InChIKey is UEHPDZQJZDWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-10-6-4-7-11(12-2)9-8-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-5-propylcyclohepta-1,3,5-triene?
2-methoxy-5-propylcyclohepta-1,3,5-triene has a molecular weight of 164.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143063211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).