3-butan-2-yl-2,3-dihydrofuran

C8H14O — CID 549617

IUPAC3-butan-2-yl-2,3-dihydrofuran
SMILESCCC(C)C1C=COC1
InChIInChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZFHLYRXUGVHBRR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds2

About 3-butan-2-yl-2,3-dihydrofuran

3-butan-2-yl-2,3-dihydrofuran (PubChem CID 549617) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-butan-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name3-butan-2-yl-2,3-dihydrofuran
PubChem CID549617
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-butan-2-yl-2,3-dihydrofuran
SMILESCCC(C)C1C=COC1
InChIInChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZFHLYRXUGVHBRR-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,3-dihydrofuran?
The IUPAC name of 3-butan-2-yl-2,3-dihydrofuran (CID 549617) is 3-butan-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 3-butan-2-yl-2,3-dihydrofuran?
The canonical SMILES for 3-butan-2-yl-2,3-dihydrofuran is CCC(C)C1C=COC1.
What is the InChIKey of 3-butan-2-yl-2,3-dihydrofuran?
The InChIKey is ZFHLYRXUGVHBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 3-butan-2-yl-2,3-dihydrofuran?
3-butan-2-yl-2,3-dihydrofuran has a molecular weight of 126.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 549617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).