6,6-dimethyl-2,5-dihydropyran-5-ol

C7H12O2 — CID 123225691

IUPAC6,6-dimethyl-2,5-dihydropyran-5-ol
SMILESCC1(C)OCC=CC1O
InChIInChI=1S/C7H12O2/c1-7(2)6(8)4-3-5-9-7/h3-4,6,8H,5H2,1-2H3
InChIKeyDGBPZENSKGGXBZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds

About 6,6-dimethyl-2,5-dihydropyran-5-ol

6,6-dimethyl-2,5-dihydropyran-5-ol (PubChem CID 123225691) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6,6-dimethyl-2,5-dihydropyran-5-ol.

Molecular Properties

Compound Name6,6-dimethyl-2,5-dihydropyran-5-ol
PubChem CID123225691
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6,6-dimethyl-2,5-dihydropyran-5-ol
SMILESCC1(C)OCC=CC1O
InChIInChI=1S/C7H12O2/c1-7(2)6(8)4-3-5-9-7/h3-4,6,8H,5H2,1-2H3
InChIKeyDGBPZENSKGGXBZ-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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 6,6-dimethyl-2,5-dihydropyran-5-ol?
The IUPAC name of 6,6-dimethyl-2,5-dihydropyran-5-ol (CID 123225691) is 6,6-dimethyl-2,5-dihydropyran-5-ol.
What is the SMILES notation for 6,6-dimethyl-2,5-dihydropyran-5-ol?
The canonical SMILES for 6,6-dimethyl-2,5-dihydropyran-5-ol is CC1(C)OCC=CC1O.
What is the InChIKey of 6,6-dimethyl-2,5-dihydropyran-5-ol?
The InChIKey is DGBPZENSKGGXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)6(8)4-3-5-9-7/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,5-dihydropyran-5-ol?
6,6-dimethyl-2,5-dihydropyran-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,5-dihydropyran-5-ol is sourced from PubChem (CID 123225691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).