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

C5H8O3 — CID 129027651

IUPAC(5R)-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)[C@@H](C)O1
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4?/m1/s1
InChIKeyHZEDJCAGLIJEAI-SYPWQXSBSA-N
MW116.12 g/mol
LogP0.29
Rot. Bonds

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

(5R)-2,5-dimethyl-1,3-dioxolan-4-one (PubChem CID 129027651) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-1,3-dioxolan-4-one
PubChem CID129027651
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(5R)-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)[C@@H](C)O1
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4?/m1/s1
InChIKeyHZEDJCAGLIJEAI-SYPWQXSBSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5R)-2,5-dimethyl-1,3-dioxolan-4-one (CID 129027651) is (5R)-2,5-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-2,5-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-2,5-dimethyl-1,3-dioxolan-4-one is CC1OC(=O)[C@@H](C)O1.
What is the InChIKey of (5R)-2,5-dimethyl-1,3-dioxolan-4-one?
The InChIKey is HZEDJCAGLIJEAI-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4?/m1/s1.
What are the key properties of (5R)-2,5-dimethyl-1,3-dioxolan-4-one?
(5R)-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 (5R)-2,5-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 129027651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).