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

C5H8O4 — CID 11007941

IUPAC(4S)-4-(methoxymethyl)-1,3-dioxolan-2-one
SMILESCOC[C@H]1COC(=O)O1
InChIInChI=1S/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyDNSGQMOSYDHNHO-BYPYZUCNSA-N
MW132.12 g/mol
LogP0.17
Rot. Bonds2

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

(4S)-4-(methoxymethyl)-1,3-dioxolan-2-one (PubChem CID 11007941) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-1,3-dioxolan-2-one
PubChem CID11007941
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name(4S)-4-(methoxymethyl)-1,3-dioxolan-2-one
SMILESCOC[C@H]1COC(=O)O1
InChIInChI=1S/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyDNSGQMOSYDHNHO-BYPYZUCNSA-N
XLogP0.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one (CID 11007941) is (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one is COC[C@H]1COC(=O)O1.
What is the InChIKey of (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is DNSGQMOSYDHNHO-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one?
(4S)-4-(methoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 132.12 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11007941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).