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

C14H20O4 — CID 68719754

IUPAC3,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C(C)=C1.CC1=COC(O)C(C)=C1
InChIInChI=1S/2C7H10O2/c2*1-5-3-6(2)7(8)9-4-5/h2*3-4,7-8H,1-2H3
InChIKeyBVRPDBIJPVLOBL-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.37
Rot. Bonds

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

3,5-dimethyl-2H-pyran-2-ol (PubChem CID 68719754) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3,5-dimethyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3,5-dimethyl-2H-pyran-2-ol
PubChem CID68719754
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3,5-dimethyl-2H-pyran-2-ol
SMILESCC1=COC(O)C(C)=C1.CC1=COC(O)C(C)=C1
InChIInChI=1S/2C7H10O2/c2*1-5-3-6(2)7(8)9-4-5/h2*3-4,7-8H,1-2H3
InChIKeyBVRPDBIJPVLOBL-UHFFFAOYSA-N
XLogP2.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-trimethoxysilylethyl)-2H-pyran-2-ol
CID 69400081
3-(2-triethoxysilylethyl)-2H-pyran-2-ol
CID 69400903
5-methyl-2H-pyran-2-ol
CID 149263411
3-propyl-2H-pyran-2-ol
CID 151523865
3-buta-1,3-dienyl-2H-pyran-2-ol
CID 153410661
3-ethyl-2H-pyran-2-ol
CID 154393502
4,5-dimethyl-2H-pyran-2-ol
CID 173017385
3-tert-butyl-2H-pyran-2-ol
CID 175140848
5-methyl-2H-pyran-2,3,4-triol
CID 175968170
3,5-dimethyl-2H-pyran-2-ol
CID 68719755

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 68719754) 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.CC1=COC(O)C(C)=C1.
What is the InChIKey of 3,5-dimethyl-2H-pyran-2-ol?
The InChIKey is BVRPDBIJPVLOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O2/c2*1-5-3-6(2)7(8)9-4-5/h2*3-4,7-8H,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 252.31 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-pyran-2-ol is sourced from PubChem (CID 68719754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).