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

C7H12O2 — CID 15658995

IUPAC2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C)C1
InChIInChI=1S/C7H12O2/c1-5-3-6(2)9-7(8)4-5/h4,6-8H,3H2,1-2H3
InChIKeyGCLLHHKAPUWKSX-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds

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

2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 15658995) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID15658995
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C)C1
InChIInChI=1S/C7H12O2/c1-5-3-6(2)9-7(8)4-5/h4,6-8H,3H2,1-2H3
InChIKeyGCLLHHKAPUWKSX-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
CID 11062800
5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 121000211
4,6,6-Trimethyl-2,3-dihydropyran-2-ol
CID 10558722
cembrene-B-gamma-lactol
CID 177930969
3,7-Dimethylocta-2,6-diene-1,1-diol, monoether with propane-1,2-diol
CID 44150460
(2R,6R)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118297
(2S,6R)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118298
(2R,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118299
(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118300
(2S)-4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 5324862
4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 10725318
(E)-8,8-diethoxy-6-methyl-3-methylideneoct-5-en-4-ol
CID 101945598

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol (CID 15658995) is 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol is CC1=CC(O)OC(C)C1.
What is the InChIKey of 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is GCLLHHKAPUWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-6(2)9-7(8)4-5/h4,6-8H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol?
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 15658995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).