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

C6H10O2 — CID 13438404

IUPAC3,6-dihydro-2H-pyran-2-ylmethanol
SMILESOCC1CC=CCO1
InChIInChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h1-2,6-7H,3-5H2
InChIKeyUNSAEZVUQMSYHU-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds1

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

3,6-dihydro-2H-pyran-2-ylmethanol (PubChem CID 13438404) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-2-ylmethanol.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-2-ylmethanol
PubChem CID13438404
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3,6-dihydro-2H-pyran-2-ylmethanol
SMILESOCC1CC=CCO1
InChIInChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h1-2,6-7H,3-5H2
InChIKeyUNSAEZVUQMSYHU-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
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 3,6-dihydro-2H-pyran-2-ylmethanol?
The IUPAC name of 3,6-dihydro-2H-pyran-2-ylmethanol (CID 13438404) is 3,6-dihydro-2H-pyran-2-ylmethanol.
What is the SMILES notation for 3,6-dihydro-2H-pyran-2-ylmethanol?
The canonical SMILES for 3,6-dihydro-2H-pyran-2-ylmethanol is OCC1CC=CCO1.
What is the InChIKey of 3,6-dihydro-2H-pyran-2-ylmethanol?
The InChIKey is UNSAEZVUQMSYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h1-2,6-7H,3-5H2.
What are the key properties of 3,6-dihydro-2H-pyran-2-ylmethanol?
3,6-dihydro-2H-pyran-2-ylmethanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 1 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-2-ylmethanol is sourced from PubChem (CID 13438404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).