3-tert-butyl-3-methyl-2H-furan

C9H16O — CID 90123871

IUPAC3-tert-butyl-3-methyl-2H-furan
SMILESCC(C)(C)C1(C)C=COC1
InChIInChI=1S/C9H16O/c1-8(2,3)9(4)5-6-10-7-9/h5-6H,7H2,1-4H3
InChIKeyXMTSCHIEUZYSCC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds

About 3-tert-butyl-3-methyl-2H-furan

3-tert-butyl-3-methyl-2H-furan (PubChem CID 90123871) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-tert-butyl-3-methyl-2H-furan.

Molecular Properties

Compound Name3-tert-butyl-3-methyl-2H-furan
PubChem CID90123871
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-tert-butyl-3-methyl-2H-furan
SMILESCC(C)(C)C1(C)C=COC1
InChIInChI=1S/C9H16O/c1-8(2,3)9(4)5-6-10-7-9/h5-6H,7H2,1-4H3
InChIKeyXMTSCHIEUZYSCC-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methyl-2H-furan?
The IUPAC name of 3-tert-butyl-3-methyl-2H-furan (CID 90123871) is 3-tert-butyl-3-methyl-2H-furan.
What is the SMILES notation for 3-tert-butyl-3-methyl-2H-furan?
The canonical SMILES for 3-tert-butyl-3-methyl-2H-furan is CC(C)(C)C1(C)C=COC1.
What is the InChIKey of 3-tert-butyl-3-methyl-2H-furan?
The InChIKey is XMTSCHIEUZYSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2,3)9(4)5-6-10-7-9/h5-6H,7H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methyl-2H-furan?
3-tert-butyl-3-methyl-2H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methyl-2H-furan is sourced from PubChem (CID 90123871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).