4,5,6-trimethyl-2H-pyran

C8H12O — CID 18343767

IUPAC4,5,6-trimethyl-2H-pyran
SMILESCC1=CCOC(C)=C1C
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyYBJDPPCCYJYLBX-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds

About 4,5,6-trimethyl-2H-pyran

4,5,6-trimethyl-2H-pyran (PubChem CID 18343767) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4,5,6-trimethyl-2H-pyran.

Molecular Properties

Compound Name4,5,6-trimethyl-2H-pyran
PubChem CID18343767
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4,5,6-trimethyl-2H-pyran
SMILESCC1=CCOC(C)=C1C
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyYBJDPPCCYJYLBX-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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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2H-pyran?
The IUPAC name of 4,5,6-trimethyl-2H-pyran (CID 18343767) is 4,5,6-trimethyl-2H-pyran.
What is the SMILES notation for 4,5,6-trimethyl-2H-pyran?
The canonical SMILES for 4,5,6-trimethyl-2H-pyran is CC1=CCOC(C)=C1C.
What is the InChIKey of 4,5,6-trimethyl-2H-pyran?
The InChIKey is YBJDPPCCYJYLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4H,5H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2H-pyran?
4,5,6-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 4,5,6-trimethyl-2H-pyran is sourced from PubChem (CID 18343767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).