(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione

C11H16O5 — CID 10823215

IUPAC(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione
SMILESCOC[C@]1(CC(C)=O)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C11H16O5/c1-7(12)5-11(6-15-4)8(13)10(2,3)9(14)16-11/h5-6H2,1-4H3/t11-/m0/s1
InChIKeyJFGOXOLINNOQIK-NSHDSACASA-N
MW228.24 g/mol
LogP0.50
Rot. Bonds4

About (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione

(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione (PubChem CID 10823215) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione
PubChem CID10823215
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione
SMILESCOC[C@]1(CC(C)=O)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C11H16O5/c1-7(12)5-11(6-15-4)8(13)10(2,3)9(14)16-11/h5-6H2,1-4H3/t11-/m0/s1
InChIKeyJFGOXOLINNOQIK-NSHDSACASA-N
XLogP0.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione with MolForge

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Related Compounds

(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
CID 10560480
methyl 2-[(2S)-2-methyl-4-oxooxetan-2-yl]acetate
CID 11019132
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
3,5-dimethyl-5-(2-oxopropyl)furan-2-one
CID 12997058
methyl (1R,4S,5S)-4-(methoxymethyl)-4,5-dimethyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexane-1-carboxylate
CID 15358228
trans-(2R,6R)-2,6-dimethyl-2,6-bis(2-oxopropyl)cyclohexan-1-one
CID 10900691
3-(methoxymethyl)-3-methyloxolane-2,5-dione
CID 62535448
2-methyl-2-(2-oxopropyl)cyclopentane-1,3-dione
CID 12546161
2-[2-(2-ethoxy-2-oxoethyl)-3-oxooxiran-2-yl]acetic acid
CID 21477334
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
ethane;propane;2,2,5,5-tetramethyl-1,3-dioxane-4,6-dione
CID 142877166
5-(2-methoxyacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 57444524

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione?
The IUPAC name of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione (CID 10823215) is (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione?
The canonical SMILES for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione is COC[C@]1(CC(C)=O)OC(=O)C(C)(C)C1=O.
What is the InChIKey of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione?
The InChIKey is JFGOXOLINNOQIK-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O5/c1-7(12)5-11(6-15-4)8(13)10(2,3)9(14)16-11/h5-6H2,1-4H3/t11-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione?
(5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione has a molecular weight of 228.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-(2-oxopropyl)oxolane-2,4-dione is sourced from PubChem (CID 10823215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).