5,6-dimethyl-2H-pyran

C7H10O — CID 54229426

IUPAC5,6-dimethyl-2H-pyran
SMILESCC1=C(C)OCC=C1
InChIInChI=1S/C7H10O/c1-6-4-3-5-8-7(6)2/h3-4H,5H2,1-2H3
InChIKeyQIELMAWMDUJXMQ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.87
Rot. Bonds

About 5,6-dimethyl-2H-pyran

5,6-dimethyl-2H-pyran (PubChem CID 54229426) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5,6-dimethyl-2H-pyran.

Molecular Properties

Compound Name5,6-dimethyl-2H-pyran
PubChem CID54229426
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5,6-dimethyl-2H-pyran
SMILESCC1=C(C)OCC=C1
InChIInChI=1S/C7H10O/c1-6-4-3-5-8-7(6)2/h3-4H,5H2,1-2H3
InChIKeyQIELMAWMDUJXMQ-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2H-pyran?
The IUPAC name of 5,6-dimethyl-2H-pyran (CID 54229426) is 5,6-dimethyl-2H-pyran.
What is the SMILES notation for 5,6-dimethyl-2H-pyran?
The canonical SMILES for 5,6-dimethyl-2H-pyran is CC1=C(C)OCC=C1.
What is the InChIKey of 5,6-dimethyl-2H-pyran?
The InChIKey is QIELMAWMDUJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-4-3-5-8-7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 5,6-dimethyl-2H-pyran?
5,6-dimethyl-2H-pyran has a molecular weight of 110.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2H-pyran is sourced from PubChem (CID 54229426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).