[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol

C6H10O3 — CID 68500076

IUPAC[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol
SMILESOCC1C=CC(CO)O1
InChIInChI=1S/C6H10O3/c7-3-5-1-2-6(4-8)9-5/h1-2,5-8H,3-4H2
InChIKeySZGZCHJPYQSARH-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.71
Rot. Bonds2

About [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol

[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol (PubChem CID 68500076) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol
PubChem CID68500076
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol
SMILESOCC1C=CC(CO)O1
InChIInChI=1S/C6H10O3/c7-3-5-1-2-6(4-8)9-5/h1-2,5-8H,3-4H2
InChIKeySZGZCHJPYQSARH-UHFFFAOYSA-N
XLogP-0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.71
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 [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol (CID 68500076) is [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol is OCC1C=CC(CO)O1.
What is the InChIKey of [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is SZGZCHJPYQSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-3-5-1-2-6(4-8)9-5/h1-2,5-8H,3-4H2.
What are the key properties of [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol?
[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 130.14 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 68500076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).