3,4,5,6-tetrahydro-2H-pyran-6-ylium

C5H9O+ — CID 22983066

IUPAC3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILES[CH+]1CCCCO1
InChIInChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2/q+1
InChIKeyPLQXRKRRLKDDPF-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.35
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-pyran-6-ylium

3,4,5,6-tetrahydro-2H-pyran-6-ylium (PubChem CID 22983066) has the molecular formula C5H9O+ and a molecular weight of 85.13 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-pyran-6-ylium.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-pyran-6-ylium
PubChem CID22983066
Molecular FormulaC5H9O+
Molecular Weight85.13 g/mol
Exact Mass85.06
IUPAC Name3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILES[CH+]1CCCCO1
InChIInChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2/q+1
InChIKeyPLQXRKRRLKDDPF-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The IUPAC name of 3,4,5,6-tetrahydro-2H-pyran-6-ylium (CID 22983066) is 3,4,5,6-tetrahydro-2H-pyran-6-ylium.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-pyran-6-ylium is [CH+]1CCCCO1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The InChIKey is PLQXRKRRLKDDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2/q+1.
What are the key properties of 3,4,5,6-tetrahydro-2H-pyran-6-ylium?
3,4,5,6-tetrahydro-2H-pyran-6-ylium has a molecular weight of 85.13 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-pyran-6-ylium is sourced from PubChem (CID 22983066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).