(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one

C8H12O5 — CID 11116788

IUPAC(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1C[C@H](C2OCCO2)[C@@H](CO)O1
InChIInChI=1S/C8H12O5/c9-4-6-5(3-7(10)13-6)8-11-1-2-12-8/h5-6,8-9H,1-4H2/t5-,6+/m0/s1
InChIKeyQZOMWDHWWYKWMO-NTSWFWBYSA-N
MW188.18 g/mol
LogP-0.72
Rot. Bonds2

About (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one

(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one (PubChem CID 11116788) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one
PubChem CID11116788
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1C[C@H](C2OCCO2)[C@@H](CO)O1
InChIInChI=1S/C8H12O5/c9-4-6-5(3-7(10)13-6)8-11-1-2-12-8/h5-6,8-9H,1-4H2/t5-,6+/m0/s1
InChIKeyQZOMWDHWWYKWMO-NTSWFWBYSA-N
XLogP-0.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one (CID 11116788) is (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one is O=C1C[C@H](C2OCCO2)[C@@H](CO)O1.
What is the InChIKey of (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is QZOMWDHWWYKWMO-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H12O5/c9-4-6-5(3-7(10)13-6)8-11-1-2-12-8/h5-6,8-9H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one?
(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 188.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(1,3-dioxolan-2-yl)-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 11116788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).