4-cyclohex-2-en-1-yl-2H-pyran

C11H14O — CID 67035665

IUPAC4-cyclohex-2-en-1-yl-2H-pyran
SMILESC1=CC(C2=CCOC=C2)CCC1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-8,10H,1,3,5,9H2
InChIKeyJYVHOMOSVHHVKI-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.81
Rot. Bonds1

About 4-cyclohex-2-en-1-yl-2H-pyran

4-cyclohex-2-en-1-yl-2H-pyran (PubChem CID 67035665) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2H-pyran.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2H-pyran
PubChem CID67035665
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name4-cyclohex-2-en-1-yl-2H-pyran
SMILESC1=CC(C2=CCOC=C2)CCC1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-8,10H,1,3,5,9H2
InChIKeyJYVHOMOSVHHVKI-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2H-pyran?
The IUPAC name of 4-cyclohex-2-en-1-yl-2H-pyran (CID 67035665) is 4-cyclohex-2-en-1-yl-2H-pyran.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2H-pyran?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2H-pyran is C1=CC(C2=CCOC=C2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2H-pyran?
The InChIKey is JYVHOMOSVHHVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-8,10H,1,3,5,9H2.
What are the key properties of 4-cyclohex-2-en-1-yl-2H-pyran?
4-cyclohex-2-en-1-yl-2H-pyran has a molecular weight of 162.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2H-pyran is sourced from PubChem (CID 67035665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).