3,6-dihydro-2H-pyran-6-ol

C5H8O2 — CID 15153563

IUPAC3,6-dihydro-2H-pyran-6-ol
SMILESOC1C=CCCO1
InChIInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1,3,5-6H,2,4H2
InChIKeyPYLQDRIFPVHRDN-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds

About 3,6-dihydro-2H-pyran-6-ol

3,6-dihydro-2H-pyran-6-ol (PubChem CID 15153563) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-6-ol
PubChem CID15153563
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3,6-dihydro-2H-pyran-6-ol
SMILESOC1C=CCCO1
InChIInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1,3,5-6H,2,4H2
InChIKeyPYLQDRIFPVHRDN-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-3,6-dihydro-2H-pyran
CID 557737
6-ethoxy-3,6-dihydro-2H-pyran
CID 359256
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
6-Methoxy-5,6-dihydro-2h-pyran
CID 18541897
2-ethoxy-3,6-dihydro-2H-pyran
CID 19096536
2,6-Dimethoxy-5,6-dihydro-2h-pyran
CID 15635083
(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol
CID 139245955
(2S)-4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 5324862
4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 10725318
2-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14413344
6-(Ethenyloxy)-3,6-dihydro-2H-pyran
CID 15584244
(3R,6R)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 10855482

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3,6-dihydro-2H-pyran-6-ol (CID 15153563) is 3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3,6-dihydro-2H-pyran-6-ol is OC1C=CCCO1.
What is the InChIKey of 3,6-dihydro-2H-pyran-6-ol?
The InChIKey is PYLQDRIFPVHRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1,3,5-6H,2,4H2.
What are the key properties of 3,6-dihydro-2H-pyran-6-ol?
3,6-dihydro-2H-pyran-6-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 15153563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).