2,2-dimethyl-3H-furan

C6H10O — CID 11094546

IUPAC2,2-dimethyl-3H-furan
SMILESCC1(C)CC=CO1
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3
InChIKeyPHFSBQBIZUORSR-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.70
Rot. Bonds

About 2,2-dimethyl-3H-furan

2,2-dimethyl-3H-furan (PubChem CID 11094546) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2,2-dimethyl-3H-furan.

Molecular Properties

Compound Name2,2-dimethyl-3H-furan
PubChem CID11094546
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2,2-dimethyl-3H-furan
SMILESCC1(C)CC=CO1
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3
InChIKeyPHFSBQBIZUORSR-UHFFFAOYSA-N
XLogP1.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-furan?
The IUPAC name of 2,2-dimethyl-3H-furan (CID 11094546) is 2,2-dimethyl-3H-furan.
What is the SMILES notation for 2,2-dimethyl-3H-furan?
The canonical SMILES for 2,2-dimethyl-3H-furan is CC1(C)CC=CO1.
What is the InChIKey of 2,2-dimethyl-3H-furan?
The InChIKey is PHFSBQBIZUORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-furan?
2,2-dimethyl-3H-furan has a molecular weight of 98.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-furan is sourced from PubChem (CID 11094546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).