5-methyl-5-propyl-2H-furan

C8H14O — CID 12507025

IUPAC5-methyl-5-propyl-2H-furan
SMILESCCCC1(C)C=CCO1
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h4,6H,3,5,7H2,1-2H3
InChIKeyKNBYBXQSXRHZIV-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About 5-methyl-5-propyl-2H-furan

5-methyl-5-propyl-2H-furan (PubChem CID 12507025) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methyl-5-propyl-2H-furan.

Molecular Properties

Compound Name5-methyl-5-propyl-2H-furan
PubChem CID12507025
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5-methyl-5-propyl-2H-furan
SMILESCCCC1(C)C=CCO1
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h4,6H,3,5,7H2,1-2H3
InChIKeyKNBYBXQSXRHZIV-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 5-methyl-5-propyl-2H-furan?
The IUPAC name of 5-methyl-5-propyl-2H-furan (CID 12507025) is 5-methyl-5-propyl-2H-furan.
What is the SMILES notation for 5-methyl-5-propyl-2H-furan?
The canonical SMILES for 5-methyl-5-propyl-2H-furan is CCCC1(C)C=CCO1.
What is the InChIKey of 5-methyl-5-propyl-2H-furan?
The InChIKey is KNBYBXQSXRHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 5-methyl-5-propyl-2H-furan?
5-methyl-5-propyl-2H-furan has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propyl-2H-furan is sourced from PubChem (CID 12507025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).