2,3,4-trimethyl-2H-pyran

C8H12O — CID 19800443

IUPAC2,3,4-trimethyl-2H-pyran
SMILESCC1=C(C)C(C)OC=C1
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4-5,8H,1-3H3
InChIKeyXIQCRMKYSDSSNI-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds

About 2,3,4-trimethyl-2H-pyran

2,3,4-trimethyl-2H-pyran (PubChem CID 19800443) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,3,4-trimethyl-2H-pyran.

Molecular Properties

Compound Name2,3,4-trimethyl-2H-pyran
PubChem CID19800443
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,3,4-trimethyl-2H-pyran
SMILESCC1=C(C)C(C)OC=C1
InChIInChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4-5,8H,1-3H3
InChIKeyXIQCRMKYSDSSNI-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

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(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
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(3S)-3,4,5,6-tetramethyl-3,4,4a,8a-tetrahydro-1H-isochromene
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[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-2H-pyran?
The IUPAC name of 2,3,4-trimethyl-2H-pyran (CID 19800443) is 2,3,4-trimethyl-2H-pyran.
What is the SMILES notation for 2,3,4-trimethyl-2H-pyran?
The canonical SMILES for 2,3,4-trimethyl-2H-pyran is CC1=C(C)C(C)OC=C1.
What is the InChIKey of 2,3,4-trimethyl-2H-pyran?
The InChIKey is XIQCRMKYSDSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-5-9-8(3)7(6)2/h4-5,8H,1-3H3.
What are the key properties of 2,3,4-trimethyl-2H-pyran?
2,3,4-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 2,3,4-trimethyl-2H-pyran is sourced from PubChem (CID 19800443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).