4,5-dimethyl-2H-pyran-2-ol

C7H10O2 — CID 173017385

IUPAC4,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C=C1C
InChIInChI=1S/C7H10O2/c1-5-3-7(8)9-4-6(5)2/h3-4,7-8H,1-2H3
InChIKeyLYYUXHHXQHPEKC-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.19
Rot. Bonds

About 4,5-dimethyl-2H-pyran-2-ol

4,5-dimethyl-2H-pyran-2-ol (PubChem CID 173017385) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4,5-dimethyl-2H-pyran-2-ol.

Molecular Properties

Compound Name4,5-dimethyl-2H-pyran-2-ol
PubChem CID173017385
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C=C1C
InChIInChI=1S/C7H10O2/c1-5-3-7(8)9-4-6(5)2/h3-4,7-8H,1-2H3
InChIKeyLYYUXHHXQHPEKC-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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Related Compounds

5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol
CID 90002737
4-methyl-2H-pyran-2-ol
CID 20025856
5-methyl-2H-pyran-4-ol
CID 20332528
8,8-Dimethoxy-3,7-dimethylocta-2,4,6-trien-1-ol
CID 54078895
(2E,4E,6E)-8,8-dimethoxy-3,7-dimethylocta-2,4,6-trien-1-ol
CID 59086594
3,5-dimethyl-2H-pyran-2-ol
CID 68719754
3-methyl-2H-pyran-2-ol
CID 68804298
3-ethenyl-2H-pyran-2-ol
CID 68979565
2-Methylpyran-2-ol
CID 91587211
1,5-Dimethoxy-2-methylidenehexa-3,5-dien-1-ol
CID 123480180
2-methoxy-5-methyl-2H-pyran
CID 140369224
5-methyl-2H-pyran-2-ol
CID 149263411

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2H-pyran-2-ol?
The IUPAC name of 4,5-dimethyl-2H-pyran-2-ol (CID 173017385) is 4,5-dimethyl-2H-pyran-2-ol.
What is the SMILES notation for 4,5-dimethyl-2H-pyran-2-ol?
The canonical SMILES for 4,5-dimethyl-2H-pyran-2-ol is CC1=COC(O)C=C1C.
What is the InChIKey of 4,5-dimethyl-2H-pyran-2-ol?
The InChIKey is LYYUXHHXQHPEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-7(8)9-4-6(5)2/h3-4,7-8H,1-2H3.
What are the key properties of 4,5-dimethyl-2H-pyran-2-ol?
4,5-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 4,5-dimethyl-2H-pyran-2-ol is sourced from PubChem (CID 173017385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).