2,5-dimethyl-3,4-dihydro-2H-pyran

C7H12O — CID 12727546

IUPAC2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=COC(C)CC1
InChIInChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h5,7H,3-4H2,1-2H3
InChIKeyFPPTVJSFDYQANP-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.09
Rot. Bonds

About 2,5-dimethyl-3,4-dihydro-2H-pyran

2,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 12727546) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID12727546
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=COC(C)CC1
InChIInChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h5,7H,3-4H2,1-2H3
InChIKeyFPPTVJSFDYQANP-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 2,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-pyran (CID 12727546) is 2,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2,5-dimethyl-3,4-dihydro-2H-pyran is CC1=COC(C)CC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is FPPTVJSFDYQANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydro-2H-pyran?
2,5-dimethyl-3,4-dihydro-2H-pyran 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 2,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 12727546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).