(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one

C4H6O4 — CID 10080384

IUPAC(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CO)O1
InChIInChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2/t3-/m0/s1
InChIKeyJFMGYULNQJPJCY-VKHMYHEASA-N
MW118.09 g/mol
LogP-0.49
Rot. Bonds1

About (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one

(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one (PubChem CID 10080384) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
PubChem CID10080384
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CO)O1
InChIInChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2/t3-/m0/s1
InChIKeyJFMGYULNQJPJCY-VKHMYHEASA-N
XLogP-0.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one (CID 10080384) is (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one is O=C1OC[C@H](CO)O1.
What is the InChIKey of (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one?
The InChIKey is JFMGYULNQJPJCY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2/t3-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one?
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one has a molecular weight of 118.09 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 10080384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).