3,4-dimethyl-2,5-dihydrofuran;ethane

C8H16O — CID 90703118

IUPAC3,4-dimethyl-2,5-dihydrofuran;ethane
SMILESCC.CC1=C(C)COC1
InChIInChI=1S/C6H10O.C2H6/c1-5-3-7-4-6(5)2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyGEYPMNBVYXBRJK-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds

About 3,4-dimethyl-2,5-dihydrofuran;ethane

3,4-dimethyl-2,5-dihydrofuran;ethane (PubChem CID 90703118) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydrofuran;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydrofuran;ethane
PubChem CID90703118
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3,4-dimethyl-2,5-dihydrofuran;ethane
SMILESCC.CC1=C(C)COC1
InChIInChI=1S/C6H10O.C2H6/c1-5-3-7-4-6(5)2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyGEYPMNBVYXBRJK-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethylallyl ether
CID 10920736
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CID 535197
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CID 165061783
1-Methoxy-2,3-dimethyl-2-butene
CID 567279
3-Methyl-1-[(2-methylprop-2-en-1-yl)oxy]but-2-ene
CID 12851391
[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane
CID 134903587
1,2,2,3,4-Pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene
CID 134903588
1-Ethoxy-2,3-dimethylbut-2-ene
CID 14065120
1-Methoxy-2-(methoxymethyl)-3-methylbut-2-ene
CID 19381118
3-Methyl-1-propoxybut-2-ene
CID 22239130
2,3-Dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene
CID 23379703
2-Methyl-1-(2-methylbut-2-enoxy)but-2-ene
CID 57317292

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydrofuran;ethane?
The IUPAC name of 3,4-dimethyl-2,5-dihydrofuran;ethane (CID 90703118) is 3,4-dimethyl-2,5-dihydrofuran;ethane.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydrofuran;ethane?
The canonical SMILES for 3,4-dimethyl-2,5-dihydrofuran;ethane is CC.CC1=C(C)COC1.
What is the InChIKey of 3,4-dimethyl-2,5-dihydrofuran;ethane?
The InChIKey is GEYPMNBVYXBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-5-3-7-4-6(5)2;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-2,5-dihydrofuran;ethane?
3,4-dimethyl-2,5-dihydrofuran;ethane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydrofuran;ethane is sourced from PubChem (CID 90703118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).