3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium

C7H10O2 — CID 11529801

IUPAC3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium
SMILESC/[O+]=[C-]/C1=CCCCO1
InChIInChI=1S/C7H10O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5H2,1H3
InChIKeyFETPJHLVWJXHLF-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.96
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium

3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium (PubChem CID 11529801) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium
PubChem CID11529801
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium
SMILESC/[O+]=[C-]/C1=CCCCO1
InChIInChI=1S/C7H10O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5H2,1H3
InChIKeyFETPJHLVWJXHLF-UHFFFAOYSA-N
XLogP0.96
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium?
The IUPAC name of 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium (CID 11529801) is 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium is C/[O+]=[C-]/C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium?
The InChIKey is FETPJHLVWJXHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium?
3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium has a molecular weight of 126.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium is sourced from PubChem (CID 11529801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).