(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one

C5H8O3 — CID 15140209

IUPAC(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(=O)[C@H](C)O1
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyHZEDJCAGLIJEAI-IMJSIDKUSA-N
MW116.12 g/mol
LogP0.29
Rot. Bonds

About (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one

(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one (PubChem CID 15140209) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one
PubChem CID15140209
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(=O)[C@H](C)O1
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyHZEDJCAGLIJEAI-IMJSIDKUSA-N
XLogP0.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Potassium 2-(1'-ethoxy)ethoxypropionate
CID 23720076
Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
2,2-Dimethyl-1,3-dioxolan-4-one
CID 4460493
(2S,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
CID 9920448
Ethyl 2-(1-ethoxyethoxy)propanoate
CID 552079
2,5-Dimethyl-1,3-dioxolan-4-one
CID 107214
5-Methyl-1,3-dioxolane-2,4-dione
CID 22227598
Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 539745
2-t-Butyl-5-methyl[1,3]dioxolan-4-one
CID 545996
2-Methyl-1,3-dioxolan-4-one
CID 10080341
5-Methyl-1,3-dioxolan-4-one
CID 13198436

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one (CID 15140209) is (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one is C[C@@H]1OC(=O)[C@H](C)O1.
What is the InChIKey of (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one?
The InChIKey is HZEDJCAGLIJEAI-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one?
(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one has a molecular weight of 116.12 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 15140209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).