3-propan-2-yl-2,3-dihydrofuran

C7H12O — CID 89019603

IUPAC3-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)C1C=COC1
InChIInChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMGDSRHUFXHHTDO-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.80
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydrofuran

3-propan-2-yl-2,3-dihydrofuran (PubChem CID 89019603) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydrofuran
PubChem CID89019603
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)C1C=COC1
InChIInChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMGDSRHUFXHHTDO-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3-dihydrofuran?
The IUPAC name of 3-propan-2-yl-2,3-dihydrofuran (CID 89019603) is 3-propan-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydrofuran?
The canonical SMILES for 3-propan-2-yl-2,3-dihydrofuran is CC(C)C1C=COC1.
What is the InChIKey of 3-propan-2-yl-2,3-dihydrofuran?
The InChIKey is MGDSRHUFXHHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydrofuran?
3-propan-2-yl-2,3-dihydrofuran has a molecular weight of 112.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 89019603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).