4,6-dimethyl-3,4-dihydro-2H-pyran

C7H12O — CID 123844819

IUPAC4,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(C)CCO1
InChIInChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h5-6H,3-4H2,1-2H3
InChIKeyNUIGXSVZZQCRPP-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

About 4,6-dimethyl-3,4-dihydro-2H-pyran

4,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 123844819) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID123844819
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(C)CCO1
InChIInChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h5-6H,3-4H2,1-2H3
InChIKeyNUIGXSVZZQCRPP-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 4,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 4,6-dimethyl-3,4-dihydro-2H-pyran (CID 123844819) is 4,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4,6-dimethyl-3,4-dihydro-2H-pyran is CC1=CC(C)CCO1.
What is the InChIKey of 4,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is NUIGXSVZZQCRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-4-8-7(2)5-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,4-dihydro-2H-pyran?
4,6-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 4,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 123844819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).