5-(hydroxymethyl)-4-methylideneoxolan-2-ol

C6H10O3 — CID 10129967

IUPAC5-(hydroxymethyl)-4-methylideneoxolan-2-ol
SMILESC=C1CC(O)OC1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2
InChIKeyWELVZIPRIVKZBV-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.36
Rot. Bonds1

About 5-(hydroxymethyl)-4-methylideneoxolan-2-ol

5-(hydroxymethyl)-4-methylideneoxolan-2-ol (PubChem CID 10129967) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methylideneoxolan-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methylideneoxolan-2-ol
PubChem CID10129967
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-(hydroxymethyl)-4-methylideneoxolan-2-ol
SMILESC=C1CC(O)OC1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2
InChIKeyWELVZIPRIVKZBV-UHFFFAOYSA-N
XLogP-0.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.36
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)-4-methylideneoxolan-2-ol?
The IUPAC name of 5-(hydroxymethyl)-4-methylideneoxolan-2-ol (CID 10129967) is 5-(hydroxymethyl)-4-methylideneoxolan-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-methylideneoxolan-2-ol is C=C1CC(O)OC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
The InChIKey is WELVZIPRIVKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2.
What are the key properties of 5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
5-(hydroxymethyl)-4-methylideneoxolan-2-ol has a molecular weight of 130.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methylideneoxolan-2-ol is sourced from PubChem (CID 10129967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).