5,5-dimethyl-2H-furan

C6H10O — CID 12871456

IUPAC5,5-dimethyl-2H-furan
SMILESCC1(C)C=CCO1
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H,5H2,1-2H3
InChIKeyVTJBOLLYKNPLGP-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds

About 5,5-dimethyl-2H-furan

5,5-dimethyl-2H-furan (PubChem CID 12871456) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 5,5-dimethyl-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-2H-furan
PubChem CID12871456
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name5,5-dimethyl-2H-furan
SMILESCC1(C)C=CCO1
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H,5H2,1-2H3
InChIKeyVTJBOLLYKNPLGP-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
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 5,5-dimethyl-2H-furan?
The IUPAC name of 5,5-dimethyl-2H-furan (CID 12871456) is 5,5-dimethyl-2H-furan.
What is the SMILES notation for 5,5-dimethyl-2H-furan?
The canonical SMILES for 5,5-dimethyl-2H-furan is CC1(C)C=CCO1.
What is the InChIKey of 5,5-dimethyl-2H-furan?
The InChIKey is VTJBOLLYKNPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-2H-furan?
5,5-dimethyl-2H-furan has a molecular weight of 98.14 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 5,5-dimethyl-2H-furan is sourced from PubChem (CID 12871456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).