2,4,5-trimethyl-2,3-dihydrofuran

C7H12O — CID 13449698

IUPAC2,4,5-trimethyl-2,3-dihydrofuran
SMILESCC1=C(C)OC(C)C1
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6H,4H2,1-3H3
InChIKeyQFJTVZKOPUQTPJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.09
Rot. Bonds

About 2,4,5-trimethyl-2,3-dihydrofuran

2,4,5-trimethyl-2,3-dihydrofuran (PubChem CID 13449698) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,4,5-trimethyl-2,3-dihydrofuran.

Molecular Properties

Compound Name2,4,5-trimethyl-2,3-dihydrofuran
PubChem CID13449698
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,4,5-trimethyl-2,3-dihydrofuran
SMILESCC1=C(C)OC(C)C1
InChIInChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6H,4H2,1-3H3
InChIKeyQFJTVZKOPUQTPJ-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-2,3-dihydrofuran?
The IUPAC name of 2,4,5-trimethyl-2,3-dihydrofuran (CID 13449698) is 2,4,5-trimethyl-2,3-dihydrofuran.
What is the SMILES notation for 2,4,5-trimethyl-2,3-dihydrofuran?
The canonical SMILES for 2,4,5-trimethyl-2,3-dihydrofuran is CC1=C(C)OC(C)C1.
What is the InChIKey of 2,4,5-trimethyl-2,3-dihydrofuran?
The InChIKey is QFJTVZKOPUQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-6(2)8-7(5)3/h6H,4H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-2,3-dihydrofuran?
2,4,5-trimethyl-2,3-dihydrofuran has a molecular weight of 112.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-2,3-dihydrofuran is sourced from PubChem (CID 13449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).