2-methylfuran;propane

C11H22O — CID 142817027

IUPAC2-methylfuran;propane
SMILESCCC.CCC.Cc1ccco1
InChIInChI=1S/C5H6O.2C3H8/c1-5-3-2-4-6-5;2*1-3-2/h2-4H,1H3;2*3H2,1-2H3
InChIKeyPQYGMLMFXGFNAJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP4.42
Rot. Bonds

About 2-methylfuran;propane

2-methylfuran;propane (PubChem CID 142817027) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methylfuran;propane.

Molecular Properties

Compound Name2-methylfuran;propane
PubChem CID142817027
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methylfuran;propane
SMILESCCC.CCC.Cc1ccco1
InChIInChI=1S/C5H6O.2C3H8/c1-5-3-2-4-6-5;2*1-3-2/h2-4H,1H3;2*3H2,1-2H3
InChIKeyPQYGMLMFXGFNAJ-UHFFFAOYSA-N
XLogP4.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;propane?
The IUPAC name of 2-methylfuran;propane (CID 142817027) is 2-methylfuran;propane.
What is the SMILES notation for 2-methylfuran;propane?
The canonical SMILES for 2-methylfuran;propane is CCC.CCC.Cc1ccco1.
What is the InChIKey of 2-methylfuran;propane?
The InChIKey is PQYGMLMFXGFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.2C3H8/c1-5-3-2-4-6-5;2*1-3-2/h2-4H,1H3;2*3H2,1-2H3.
What are the key properties of 2-methylfuran;propane?
2-methylfuran;propane has a molecular weight of 170.30 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;propane is sourced from PubChem (CID 142817027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).