3-(methoxymethyl)-3-methyloxolane-2,5-dione

C7H10O4 — CID 62535448

IUPAC3-(methoxymethyl)-3-methyloxolane-2,5-dione
SMILESCOCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O4/c1-7(4-10-2)3-5(8)11-6(7)9/h3-4H2,1-2H3
InChIKeyAKSPEBXGHRHIOG-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.11
Rot. Bonds2

About 3-(methoxymethyl)-3-methyloxolane-2,5-dione

3-(methoxymethyl)-3-methyloxolane-2,5-dione (PubChem CID 62535448) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(methoxymethyl)-3-methyloxolane-2,5-dione
PubChem CID62535448
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name3-(methoxymethyl)-3-methyloxolane-2,5-dione
SMILESCOCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O4/c1-7(4-10-2)3-5(8)11-6(7)9/h3-4H2,1-2H3
InChIKeyAKSPEBXGHRHIOG-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-methyl-3-propyloxolane-2,5-dione
CID 43134896
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
CID 22944814
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
4-(methoxymethyl)-4-methylazetidin-2-one
CID 64665365
3-propyl-3-trimethoxysilyloxolane-2,5-dione
CID 140683995
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
3-but-1-en-2-yl-3-hydroxyoxolane-2,5-dione
CID 174906908
2-(methoxymethyl)-2-methyl-3H-pyran-4-one
CID 16749756
(2-ethyl-2-adamantyl) 2-methyl-2-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]butanoate
CID 20710372

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-methyloxolane-2,5-dione?
The IUPAC name of 3-(methoxymethyl)-3-methyloxolane-2,5-dione (CID 62535448) is 3-(methoxymethyl)-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(methoxymethyl)-3-methyloxolane-2,5-dione?
The canonical SMILES for 3-(methoxymethyl)-3-methyloxolane-2,5-dione is COCC1(C)CC(=O)OC1=O.
What is the InChIKey of 3-(methoxymethyl)-3-methyloxolane-2,5-dione?
The InChIKey is AKSPEBXGHRHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(4-10-2)3-5(8)11-6(7)9/h3-4H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-3-methyloxolane-2,5-dione?
3-(methoxymethyl)-3-methyloxolane-2,5-dione has a molecular weight of 158.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-methyloxolane-2,5-dione is sourced from PubChem (CID 62535448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).