3-ethenyl-2,4,5-trimethylfuran

C9H12O — CID 167164400

IUPAC3-ethenyl-2,4,5-trimethylfuran
SMILESC=Cc1c(C)oc(C)c1C
InChIInChI=1S/C9H12O/c1-5-9-6(2)7(3)10-8(9)4/h5H,1H2,2-4H3
InChIKeyKSJVDALSDHWFRV-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.85
Rot. Bonds1

About 3-ethenyl-2,4,5-trimethylfuran

3-ethenyl-2,4,5-trimethylfuran (PubChem CID 167164400) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethenyl-2,4,5-trimethylfuran.

Molecular Properties

Compound Name3-ethenyl-2,4,5-trimethylfuran
PubChem CID167164400
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-ethenyl-2,4,5-trimethylfuran
SMILESC=Cc1c(C)oc(C)c1C
InChIInChI=1S/C9H12O/c1-5-9-6(2)7(3)10-8(9)4/h5H,1H2,2-4H3
InChIKeyKSJVDALSDHWFRV-UHFFFAOYSA-N
XLogP2.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylfuran
CID 12266
3-Acetyl-2,5-dimethylfuran
CID 61527
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
2,3-Dimethylfuran
CID 34337
2,3,5-Trimethylfuran
CID 517859
2,4-Dimethylfuran
CID 19462
Isofuranodiene
CID 636458
2-Ethenyl-5-methylfuran
CID 3014647
4-(5-Methylfuran-2-yl)but-3-en-2-one
CID 6075631
2-Methyl-5-(1-methylethyl)furan
CID 10678230
8-Methoxy-1,3-dimethyl-cyclohepta[c]furan-4-one
CID 595031
Sesquirose furan
CID 5366078

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,4,5-trimethylfuran?
The IUPAC name of 3-ethenyl-2,4,5-trimethylfuran (CID 167164400) is 3-ethenyl-2,4,5-trimethylfuran.
What is the SMILES notation for 3-ethenyl-2,4,5-trimethylfuran?
The canonical SMILES for 3-ethenyl-2,4,5-trimethylfuran is C=Cc1c(C)oc(C)c1C.
What is the InChIKey of 3-ethenyl-2,4,5-trimethylfuran?
The InChIKey is KSJVDALSDHWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-5-9-6(2)7(3)10-8(9)4/h5H,1H2,2-4H3.
What are the key properties of 3-ethenyl-2,4,5-trimethylfuran?
3-ethenyl-2,4,5-trimethylfuran has a molecular weight of 136.19 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,4,5-trimethylfuran is sourced from PubChem (CID 167164400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).