2,5-dimethyl-2H-pyran-3-ol

C7H10O2 — CID 173074242

IUPAC2,5-dimethyl-2H-pyran-3-ol
SMILESCC1=COC(C)C(O)=C1
InChIInChI=1S/C7H10O2/c1-5-3-7(8)6(2)9-4-5/h3-4,6,8H,1-2H3
InChIKeyPCAUVUKDSMRWRR-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.75
Rot. Bonds

About 2,5-dimethyl-2H-pyran-3-ol

2,5-dimethyl-2H-pyran-3-ol (PubChem CID 173074242) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,5-dimethyl-2H-pyran-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-2H-pyran-3-ol
PubChem CID173074242
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2,5-dimethyl-2H-pyran-3-ol
SMILESCC1=COC(C)C(O)=C1
InChIInChI=1S/C7H10O2/c1-5-3-7(8)6(2)9-4-5/h3-4,6,8H,1-2H3
InChIKeyPCAUVUKDSMRWRR-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2H-pyran-3-ol?
The IUPAC name of 2,5-dimethyl-2H-pyran-3-ol (CID 173074242) is 2,5-dimethyl-2H-pyran-3-ol.
What is the SMILES notation for 2,5-dimethyl-2H-pyran-3-ol?
The canonical SMILES for 2,5-dimethyl-2H-pyran-3-ol is CC1=COC(C)C(O)=C1.
What is the InChIKey of 2,5-dimethyl-2H-pyran-3-ol?
The InChIKey is PCAUVUKDSMRWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-7(8)6(2)9-4-5/h3-4,6,8H,1-2H3.
What are the key properties of 2,5-dimethyl-2H-pyran-3-ol?
2,5-dimethyl-2H-pyran-3-ol has a molecular weight of 126.15 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2H-pyran-3-ol is sourced from PubChem (CID 173074242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).