2-propan-2-yl-2,5-dihydrofuran

C7H12O — CID 12507024

IUPAC2-propan-2-yl-2,5-dihydrofuran
SMILESCC(C)C1C=CCO1
InChIInChI=1S/C7H12O/c1-6(2)7-4-3-5-8-7/h3-4,6-7H,5H2,1-2H3
InChIKeyQDMSSOUVCMSNBR-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds1

About 2-propan-2-yl-2,5-dihydrofuran

2-propan-2-yl-2,5-dihydrofuran (PubChem CID 12507024) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-propan-2-yl-2,5-dihydrofuran
PubChem CID12507024
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-propan-2-yl-2,5-dihydrofuran
SMILESCC(C)C1C=CCO1
InChIInChI=1S/C7H12O/c1-6(2)7-4-3-5-8-7/h3-4,6-7H,5H2,1-2H3
InChIKeyQDMSSOUVCMSNBR-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 2-propan-2-yl-2,5-dihydrofuran (CID 12507024) is 2-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 2-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 2-propan-2-yl-2,5-dihydrofuran is CC(C)C1C=CCO1.
What is the InChIKey of 2-propan-2-yl-2,5-dihydrofuran?
The InChIKey is QDMSSOUVCMSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)7-4-3-5-8-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,5-dihydrofuran?
2-propan-2-yl-2,5-dihydrofuran has a molecular weight of 112.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 12507024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).