5-methyl-3,4-dihydro-2H-furan-5-ylium

C5H9O+ — CID 12939308

IUPAC5-methyl-3,4-dihydro-2H-furan-5-ylium
SMILESC[C+]1CCCO1
InChIInChI=1S/C5H9O/c1-5-3-2-4-6-5/h2-4H2,1H3/q+1
InChIKeyMDYAMVPGXASJIF-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.35
Rot. Bonds

About 5-methyl-3,4-dihydro-2H-furan-5-ylium

5-methyl-3,4-dihydro-2H-furan-5-ylium (PubChem CID 12939308) has the molecular formula C5H9O+ and a molecular weight of 85.13 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-furan-5-ylium.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-furan-5-ylium
PubChem CID12939308
Molecular FormulaC5H9O+
Molecular Weight85.13 g/mol
Exact Mass85.06
IUPAC Name5-methyl-3,4-dihydro-2H-furan-5-ylium
SMILESC[C+]1CCCO1
InChIInChI=1S/C5H9O/c1-5-3-2-4-6-5/h2-4H2,1H3/q+1
InChIKeyMDYAMVPGXASJIF-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 5-methyl-3,4-dihydro-2H-furan-5-ylium?
The IUPAC name of 5-methyl-3,4-dihydro-2H-furan-5-ylium (CID 12939308) is 5-methyl-3,4-dihydro-2H-furan-5-ylium.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-furan-5-ylium?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-furan-5-ylium is C[C+]1CCCO1.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-furan-5-ylium?
The InChIKey is MDYAMVPGXASJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c1-5-3-2-4-6-5/h2-4H2,1H3/q+1.
What are the key properties of 5-methyl-3,4-dihydro-2H-furan-5-ylium?
5-methyl-3,4-dihydro-2H-furan-5-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 5-methyl-3,4-dihydro-2H-furan-5-ylium is sourced from PubChem (CID 12939308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).