2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine

C16H21NO — CID 139671893

IUPAC2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine
SMILESC=CCCCOc1cc(CC=C)cc(CC=C)n1
InChIInChI=1S/C16H21NO/c1-4-7-8-11-18-16-13-14(9-5-2)12-15(17-16)10-6-3/h4-6,12-13H,1-3,7-11H2
InChIKeyMSSBUKBIMJOZHO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.88
Rot. Bonds9

About 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine

2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine (PubChem CID 139671893) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine.

Molecular Properties

Compound Name2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine
PubChem CID139671893
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine
SMILESC=CCCCOc1cc(CC=C)cc(CC=C)n1
InChIInChI=1S/C16H21NO/c1-4-7-8-11-18-16-13-14(9-5-2)12-15(17-16)10-6-3/h4-6,12-13H,1-3,7-11H2
InChIKeyMSSBUKBIMJOZHO-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine?
The IUPAC name of 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine (CID 139671893) is 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine.
What is the SMILES notation for 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine?
The canonical SMILES for 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine is C=CCCCOc1cc(CC=C)cc(CC=C)n1.
What is the InChIKey of 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine?
The InChIKey is MSSBUKBIMJOZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-7-8-11-18-16-13-14(9-5-2)12-15(17-16)10-6-3/h4-6,12-13H,1-3,7-11H2.
What are the key properties of 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine?
2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine is sourced from PubChem (CID 139671893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).