2,2,3,4,5,5-hexamethylfuran

C10H18O — CID 22944177

IUPAC2,2,3,4,5,5-hexamethylfuran
SMILESCC1=C(C)C(C)(C)OC1(C)C
InChIInChI=1S/C10H18O/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3
InChIKeyQIVVLKOHSVMRHT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds

About 2,2,3,4,5,5-hexamethylfuran

2,2,3,4,5,5-hexamethylfuran (PubChem CID 22944177) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexamethylfuran.

Molecular Properties

Compound Name2,2,3,4,5,5-hexamethylfuran
PubChem CID22944177
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2,3,4,5,5-hexamethylfuran
SMILESCC1=C(C)C(C)(C)OC1(C)C
InChIInChI=1S/C10H18O/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3
InChIKeyQIVVLKOHSVMRHT-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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 2,2,3,4,5,5-hexamethylfuran?
The IUPAC name of 2,2,3,4,5,5-hexamethylfuran (CID 22944177) is 2,2,3,4,5,5-hexamethylfuran.
What is the SMILES notation for 2,2,3,4,5,5-hexamethylfuran?
The canonical SMILES for 2,2,3,4,5,5-hexamethylfuran is CC1=C(C)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,3,4,5,5-hexamethylfuran?
The InChIKey is QIVVLKOHSVMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3.
What are the key properties of 2,2,3,4,5,5-hexamethylfuran?
2,2,3,4,5,5-hexamethylfuran has a molecular weight of 154.25 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexamethylfuran is sourced from PubChem (CID 22944177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).