3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran

C8H12O — CID 22948196

IUPAC3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran
SMILESC=C(C)C1OCC=C1C
InChIInChI=1S/C8H12O/c1-6(2)8-7(3)4-5-9-8/h4,8H,1,5H2,2-3H3
InChIKeyAZLUBYUJWBZEFN-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds1

About 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran

3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran (PubChem CID 22948196) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran
PubChem CID22948196
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran
SMILESC=C(C)C1OCC=C1C
InChIInChI=1S/C8H12O/c1-6(2)8-7(3)4-5-9-8/h4,8H,1,5H2,2-3H3
InChIKeyAZLUBYUJWBZEFN-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
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 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran?
The IUPAC name of 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran (CID 22948196) is 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran is C=C(C)C1OCC=C1C.
What is the InChIKey of 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran?
The InChIKey is AZLUBYUJWBZEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6(2)8-7(3)4-5-9-8/h4,8H,1,5H2,2-3H3.
What are the key properties of 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran?
3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran has a molecular weight of 124.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 22948196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).