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

C7H12O — CID 20616053

IUPAC2,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1C=COC(C)C1
InChIInChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyNXXJTHGEZGOEJP-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

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

2,4-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 20616053) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,4-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2,4-dimethyl-3,4-dihydro-2H-pyran
PubChem CID20616053
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1C=COC(C)C1
InChIInChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyNXXJTHGEZGOEJP-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2,4-dimethyl-3,4-dihydro-2H-pyran (CID 20616053) is 2,4-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2,4-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2,4-dimethyl-3,4-dihydro-2H-pyran is CC1C=COC(C)C1.
What is the InChIKey of 2,4-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is NXXJTHGEZGOEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4-dihydro-2H-pyran?
2,4-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 112.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 20616053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).