4-(diethoxymethyl)-5,5-dimethyloxolan-2-one

C11H20O4 — CID 71521823

IUPAC4-(diethoxymethyl)-5,5-dimethyloxolan-2-one
SMILESCCOC(OCC)C1CC(=O)OC1(C)C
InChIInChI=1S/C11H20O4/c1-5-13-10(14-6-2)8-7-9(12)15-11(8,3)4/h8,10H,5-7H2,1-4H3
InChIKeyGYXDOVLEMZISNS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.73
Rot. Bonds5

About 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one

4-(diethoxymethyl)-5,5-dimethyloxolan-2-one (PubChem CID 71521823) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-(diethoxymethyl)-5,5-dimethyloxolan-2-one
PubChem CID71521823
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name4-(diethoxymethyl)-5,5-dimethyloxolan-2-one
SMILESCCOC(OCC)C1CC(=O)OC1(C)C
InChIInChI=1S/C11H20O4/c1-5-13-10(14-6-2)8-7-9(12)15-11(8,3)4/h8,10H,5-7H2,1-4H3
InChIKeyGYXDOVLEMZISNS-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Botryodiplodin acetate
CID 76333595
Botryosphaerilactone B
CID 44605080
Botryosphaerilactone C
CID 102161308
Botryosphaerilactone A
CID 102161309
5-Ethoxy-4-ethyloxolan-2-one
CID 12864817
ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate
CID 134986624
(4r,5r)-5-Ethoxy-4-(2-hydroxypropan-2-yl)-dihydrofuran-2(3h)-one
CID 155898877
5-Ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
CID 162400111
Botryosphaerilactone D
CID 170988728
Botryosphaerilactone E
CID 170988729
4-(Dimethoxymethyl)-5,5-dimethyloxolan-2-one
CID 71521739
(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one
CID 102415813

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one (CID 71521823) is 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one is CCOC(OCC)C1CC(=O)OC1(C)C.
What is the InChIKey of 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one?
The InChIKey is GYXDOVLEMZISNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-13-10(14-6-2)8-7-9(12)15-11(8,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one?
4-(diethoxymethyl)-5,5-dimethyloxolan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 71521823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).