4-ethenyl-5,5-dimethyl-2H-furan

C8H12O — CID 21134276

IUPAC4-ethenyl-5,5-dimethyl-2H-furan
SMILESC=CC1=CCOC1(C)C
InChIInChI=1S/C8H12O/c1-4-7-5-6-9-8(7,2)3/h4-5H,1,6H2,2-3H3
InChIKeyQGTIZEVDFNWOOA-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds1

About 4-ethenyl-5,5-dimethyl-2H-furan

4-ethenyl-5,5-dimethyl-2H-furan (PubChem CID 21134276) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-ethenyl-5,5-dimethyl-2H-furan.

Molecular Properties

Compound Name4-ethenyl-5,5-dimethyl-2H-furan
PubChem CID21134276
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-ethenyl-5,5-dimethyl-2H-furan
SMILESC=CC1=CCOC1(C)C
InChIInChI=1S/C8H12O/c1-4-7-5-6-9-8(7,2)3/h4-5H,1,6H2,2-3H3
InChIKeyQGTIZEVDFNWOOA-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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5,5-dimethyl-2H-furan?
The IUPAC name of 4-ethenyl-5,5-dimethyl-2H-furan (CID 21134276) is 4-ethenyl-5,5-dimethyl-2H-furan.
What is the SMILES notation for 4-ethenyl-5,5-dimethyl-2H-furan?
The canonical SMILES for 4-ethenyl-5,5-dimethyl-2H-furan is C=CC1=CCOC1(C)C.
What is the InChIKey of 4-ethenyl-5,5-dimethyl-2H-furan?
The InChIKey is QGTIZEVDFNWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-7-5-6-9-8(7,2)3/h4-5H,1,6H2,2-3H3.
What are the key properties of 4-ethenyl-5,5-dimethyl-2H-furan?
4-ethenyl-5,5-dimethyl-2H-furan 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 4-ethenyl-5,5-dimethyl-2H-furan is sourced from PubChem (CID 21134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).