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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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).