3,5,6-trimethyl-2H-pyran

C8H12O — CID 22943701

IUPAC3,5,6-trimethyl-2H-pyran
SMILESCC1=CC(C)=C(C)OC1
InChIInChI=1S/C8H12O/c1-6-4-7(2)8(3)9-5-6/h4H,5H2,1-3H3
InChIKeyIDZMHLFUYVFIED-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds

About 3,5,6-trimethyl-2H-pyran

3,5,6-trimethyl-2H-pyran (PubChem CID 22943701) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3,5,6-trimethyl-2H-pyran.

Molecular Properties

Compound Name3,5,6-trimethyl-2H-pyran
PubChem CID22943701
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3,5,6-trimethyl-2H-pyran
SMILESCC1=CC(C)=C(C)OC1
InChIInChI=1S/C8H12O/c1-6-4-7(2)8(3)9-5-6/h4H,5H2,1-3H3
InChIKeyIDZMHLFUYVFIED-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
2,2-dimethyl-6-isopropenyl-2H-pyran
CID 636526
2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
4-Methyl-2H-pyran
CID 18186136
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Magnesium;1,4-dimethoxy-2-methylbenzene-5-ide;bromide
CID 13401204
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
2,2-Dimethyl-2h-pyran
CID 15446431
5-Methyl-oxine
CID 18410493

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2H-pyran?
The IUPAC name of 3,5,6-trimethyl-2H-pyran (CID 22943701) is 3,5,6-trimethyl-2H-pyran.
What is the SMILES notation for 3,5,6-trimethyl-2H-pyran?
The canonical SMILES for 3,5,6-trimethyl-2H-pyran is CC1=CC(C)=C(C)OC1.
What is the InChIKey of 3,5,6-trimethyl-2H-pyran?
The InChIKey is IDZMHLFUYVFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-7(2)8(3)9-5-6/h4H,5H2,1-3H3.
What are the key properties of 3,5,6-trimethyl-2H-pyran?
3,5,6-trimethyl-2H-pyran has a molecular weight of 124.18 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2H-pyran is sourced from PubChem (CID 22943701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).