2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

C11H16O — CID 134866027

IUPAC2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESC/C=C/C1CCC2=C(CCC2)O1
InChIInChI=1S/C11H16O/c1-2-4-10-8-7-9-5-3-6-11(9)12-10/h2,4,10H,3,5-8H2,1H3/b4-2+
InChIKeyWMINKIPGSPROSG-DUXPYHPUSA-N
MW164.25 g/mol
LogP3.18
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (PubChem CID 134866027) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
PubChem CID134866027
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESC/C=C/C1CCC2=C(CCC2)O1
InChIInChI=1S/C11H16O/c1-2-4-10-8-7-9-5-3-6-11(9)12-10/h2,4,10H,3,5-8H2,1H3/b4-2+
InChIKeyWMINKIPGSPROSG-DUXPYHPUSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.18
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 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The IUPAC name of 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (CID 134866027) is 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The canonical SMILES for 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is C/C=C/C1CCC2=C(CCC2)O1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The InChIKey is WMINKIPGSPROSG-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H16O/c1-2-4-10-8-7-9-5-3-6-11(9)12-10/h2,4,10H,3,5-8H2,1H3/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran has a molecular weight of 164.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is sourced from PubChem (CID 134866027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).