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

C7H10O2 — CID 68719755

IUPAC3,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C(C)=C1
InChIInChI=1S/C7H10O2/c1-5-3-6(2)7(8)9-4-5/h3-4,7-8H,1-2H3
InChIKeyNOWRLSFWSGXMMD-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.19
Rot. Bonds

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

3,5-dimethyl-2H-pyran-2-ol (PubChem CID 68719755) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3,5-dimethyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3,5-dimethyl-2H-pyran-2-ol
PubChem CID68719755
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C(C)=C1
InChIInChI=1S/C7H10O2/c1-5-3-6(2)7(8)9-4-5/h3-4,7-8H,1-2H3
InChIKeyNOWRLSFWSGXMMD-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-pyran-2-ol?
The IUPAC name of 3,5-dimethyl-2H-pyran-2-ol (CID 68719755) is 3,5-dimethyl-2H-pyran-2-ol.
What is the SMILES notation for 3,5-dimethyl-2H-pyran-2-ol?
The canonical SMILES for 3,5-dimethyl-2H-pyran-2-ol is CC1=COC(O)C(C)=C1.
What is the InChIKey of 3,5-dimethyl-2H-pyran-2-ol?
The InChIKey is NOWRLSFWSGXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-6(2)7(8)9-4-5/h3-4,7-8H,1-2H3.
What are the key properties of 3,5-dimethyl-2H-pyran-2-ol?
3,5-dimethyl-2H-pyran-2-ol has a molecular weight of 126.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-pyran-2-ol is sourced from PubChem (CID 68719755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).