2,3-dimethylfuran;propane

C12H24O — CID 145343494

IUPAC2,3-dimethylfuran;propane
SMILESCCC.CCC.Cc1ccoc1C
InChIInChI=1S/C6H8O.2C3H8/c1-5-3-4-7-6(5)2;2*1-3-2/h3-4H,1-2H3;2*3H2,1-2H3
InChIKeyHVYGBEVBESIOQA-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.73
Rot. Bonds

About 2,3-dimethylfuran;propane

2,3-dimethylfuran;propane (PubChem CID 145343494) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,3-dimethylfuran;propane.

Molecular Properties

Compound Name2,3-dimethylfuran;propane
PubChem CID145343494
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,3-dimethylfuran;propane
SMILESCCC.CCC.Cc1ccoc1C
InChIInChI=1S/C6H8O.2C3H8/c1-5-3-4-7-6(5)2;2*1-3-2/h3-4H,1-2H3;2*3H2,1-2H3
InChIKeyHVYGBEVBESIOQA-UHFFFAOYSA-N
XLogP4.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;propane?
The IUPAC name of 2,3-dimethylfuran;propane (CID 145343494) is 2,3-dimethylfuran;propane.
What is the SMILES notation for 2,3-dimethylfuran;propane?
The canonical SMILES for 2,3-dimethylfuran;propane is CCC.CCC.Cc1ccoc1C.
What is the InChIKey of 2,3-dimethylfuran;propane?
The InChIKey is HVYGBEVBESIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.2C3H8/c1-5-3-4-7-6(5)2;2*1-3-2/h3-4H,1-2H3;2*3H2,1-2H3.
What are the key properties of 2,3-dimethylfuran;propane?
2,3-dimethylfuran;propane has a molecular weight of 184.32 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;propane is sourced from PubChem (CID 145343494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).