(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol

C6H10O3 — CID 11829471

IUPAC(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol
SMILESC=C1C[C@H](O)O[C@@H]1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2/t5-,6-/m1/s1
InChIKeyWELVZIPRIVKZBV-PHDIDXHHSA-N
MW130.14 g/mol
LogP-0.36
Rot. Bonds1

About (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol

(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol (PubChem CID 11829471) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol.

Molecular Properties

Compound Name(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol
PubChem CID11829471
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol
SMILESC=C1C[C@H](O)O[C@@H]1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2/t5-,6-/m1/s1
InChIKeyWELVZIPRIVKZBV-PHDIDXHHSA-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 (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
The IUPAC name of (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol (CID 11829471) is (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol.
What is the SMILES notation for (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
The canonical SMILES for (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol is C=C1C[C@H](O)O[C@@H]1CO.
What is the InChIKey of (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
The InChIKey is WELVZIPRIVKZBV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h5-8H,1-3H2/t5-,6-/m1/s1.
What are the key properties of (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol?
(2R,5S)-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 (2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-ol is sourced from PubChem (CID 11829471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).