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

C4H6O3 — CID 2734444

IUPAC(4S)-4-methyl-1,3-dioxolan-2-one
SMILESC[C@H]1COC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyRUOJZAUFBMNUDX-VKHMYHEASA-N
MW102.09 g/mol
LogP0.54
Rot. Bonds

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

(4S)-4-methyl-1,3-dioxolan-2-one (PubChem CID 2734444) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is (4S)-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-1,3-dioxolan-2-one
PubChem CID2734444
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name(4S)-4-methyl-1,3-dioxolan-2-one
SMILESC[C@H]1COC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyRUOJZAUFBMNUDX-VKHMYHEASA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-methyl-1,3-dioxolan-2-one (CID 2734444) is (4S)-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-methyl-1,3-dioxolan-2-one is C[C@H]1COC(=O)O1.
What is the InChIKey of (4S)-4-methyl-1,3-dioxolan-2-one?
The InChIKey is RUOJZAUFBMNUDX-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (4S)-4-methyl-1,3-dioxolan-2-one?
(4S)-4-methyl-1,3-dioxolan-2-one has a molecular weight of 102.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 2734444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).