2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran

C13H14O2 — CID 67688665

IUPAC2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran
SMILESC1=COC(OC=CC2=CCCC=C2)C=C1
InChIInChI=1S/C13H14O2/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h2,4-11,13H,1,3H2
InChIKeyANPICHHWJKCWLJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran

2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran (PubChem CID 67688665) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran
PubChem CID67688665
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran
SMILESC1=COC(OC=CC2=CCCC=C2)C=C1
InChIInChI=1S/C13H14O2/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h2,4-11,13H,1,3H2
InChIKeyANPICHHWJKCWLJ-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran (CID 67688665) is 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran is C1=COC(OC=CC2=CCCC=C2)C=C1.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran?
The InChIKey is ANPICHHWJKCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h2,4-11,13H,1,3H2.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran?
2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran has a molecular weight of 202.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran is sourced from PubChem (CID 67688665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).