(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one

C6H8O3 — CID 5325916

IUPAC(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
SMILESC=C1C[C@@H](CO)OC1=O
InChIInChI=1S/C6H8O3/c1-4-2-5(3-7)9-6(4)8/h5,7H,1-3H2/t5-/m0/s1
InChIKeyPYBIZFZOOGMUMG-YFKPBYRVSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds1

About (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one

(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one (PubChem CID 5325916) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
PubChem CID5325916
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
SMILESC=C1C[C@@H](CO)OC1=O
InChIInChI=1S/C6H8O3/c1-4-2-5(3-7)9-6(4)8/h5,7H,1-3H2/t5-/m0/s1
InChIKeyPYBIZFZOOGMUMG-YFKPBYRVSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one (CID 5325916) is (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one is C=C1C[C@@H](CO)OC1=O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one?
The InChIKey is PYBIZFZOOGMUMG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-2-5(3-7)9-6(4)8/h5,7H,1-3H2/t5-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one?
(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one is sourced from PubChem (CID 5325916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).