[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol

C7H12O3 — CID 66809111

IUPAC[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
SMILESOCC1C=CCOC1CO
InChIInChI=1S/C7H12O3/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2
InChIKeyLWXOYXNRKADMLP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.46
Rot. Bonds2

About [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol

[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol (PubChem CID 66809111) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
PubChem CID66809111
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
SMILESOCC1C=CCOC1CO
InChIInChI=1S/C7H12O3/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2
InChIKeyLWXOYXNRKADMLP-UHFFFAOYSA-N
XLogP-0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol (CID 66809111) is [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol is OCC1C=CCOC1CO.
What is the InChIKey of [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol?
The InChIKey is LWXOYXNRKADMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2.
What are the key properties of [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol?
[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol is sourced from PubChem (CID 66809111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).