4-ethynyl-3,6-dihydro-2H-pyran

C7H8O — CID 91256663

IUPAC4-ethynyl-3,6-dihydro-2H-pyran
SMILESC#CC1=CCOCC1
InChIInChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h1,3H,4-6H2
InChIKeyRLBFZPZJZQKXTK-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.97
Rot. Bonds

About 4-ethynyl-3,6-dihydro-2H-pyran

4-ethynyl-3,6-dihydro-2H-pyran (PubChem CID 91256663) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-ethynyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-ethynyl-3,6-dihydro-2H-pyran
PubChem CID91256663
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name4-ethynyl-3,6-dihydro-2H-pyran
SMILESC#CC1=CCOCC1
InChIInChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h1,3H,4-6H2
InChIKeyRLBFZPZJZQKXTK-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-ethynyl-3,6-dihydro-2H-pyran (CID 91256663) is 4-ethynyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-ethynyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-ethynyl-3,6-dihydro-2H-pyran is C#CC1=CCOCC1.
What is the InChIKey of 4-ethynyl-3,6-dihydro-2H-pyran?
The InChIKey is RLBFZPZJZQKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h1,3H,4-6H2.
What are the key properties of 4-ethynyl-3,6-dihydro-2H-pyran?
4-ethynyl-3,6-dihydro-2H-pyran has a molecular weight of 108.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 91256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).