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

C9H16O4 — CID 71521739

IUPAC4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one
SMILESCOC(OC)C1CC(=O)OC1(C)C
InChIInChI=1S/C9H16O4/c1-9(2)6(5-7(10)13-9)8(11-3)12-4/h6,8H,5H2,1-4H3
InChIKeyWRGFJOSFHIUIOU-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds3

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

4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one (PubChem CID 71521739) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one
PubChem CID71521739
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one
SMILESCOC(OC)C1CC(=O)OC1(C)C
InChIInChI=1S/C9H16O4/c1-9(2)6(5-7(10)13-9)8(11-3)12-4/h6,8H,5H2,1-4H3
InChIKeyWRGFJOSFHIUIOU-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
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

(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid
CID 102133203
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
(5R)-5-methoxy-6,6-dimethyloxan-2-one
CID 101461458
5-methoxy-6,6-dimethyloxan-2-one
CID 153365185
5,6,6-trimethyloxan-2-one
CID 20872380
(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
CID 101002966
5-(dimethoxymethyl)cyclohexane-1,3-dione
CID 19347799
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 6931352
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
2-(dimethoxymethyl)-5-methylcyclohexane-1,3-dione
CID 130595738
6-(dimethoxymethyl)-4-hydroxyoxan-2-one
CID 22909990
4,4-dimethyl-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrol-6-one
CID 130057017

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one (CID 71521739) is 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one is COC(OC)C1CC(=O)OC1(C)C.
What is the InChIKey of 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one?
The InChIKey is WRGFJOSFHIUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2)6(5-7(10)13-9)8(11-3)12-4/h6,8H,5H2,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one?
4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 71521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).