(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium

C6H9O4+ — CID 147724885

IUPAC(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium
SMILES[H]/[O+]=C1\CC(=O)OC(C)(C)O1
InChIInChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3/p+1
InChIKeyGXHFUVWIGNLZSC-UHFFFAOYSA-O
MW145.13 g/mol
LogP0.19
Rot. Bonds

About (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium

(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium (PubChem CID 147724885) has the molecular formula C6H9O4+ and a molecular weight of 145.13 g/mol. Its IUPAC name is (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium.

Molecular Properties

Compound Name(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium
PubChem CID147724885
Molecular FormulaC6H9O4+
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium
SMILES[H]/[O+]=C1\CC(=O)OC(C)(C)O1
InChIInChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3/p+1
InChIKeyGXHFUVWIGNLZSC-UHFFFAOYSA-O
XLogP0.19
TPSA56.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-dioxane-4,6-dione;2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 129105041
5-[1-(dimethylamino)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;2,2-dimethyl-1,3-dioxane-4,6-dione
CID 158355472
2,2-dimethyl-1,3-oxazinane-4,6-dione
CID 154006806
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723
2,2-dimethyl-(514C)1,3-dioxane-4,6-dione
CID 11367066
1,7-diethyl-4,4,8,8-tetramethyl-3,5-dioxabicyclo[5.1.0]octane-2,6-dione
CID 70869397
2,2-dimethyl-5-sulfanylidene-1,3-dioxane-4,6-dione
CID 101415621
2-chloro-2-ethyl-1,3-dioxane-4,6-dione
CID 69248636
2,2-dimethyl-1,3-dioxane-4,6-dione;methanol;methyl 3-oxo-4-(4-phenylphenyl)butanoate;2-(4-phenylphenyl)acetic acid
CID 158381745
2,2-dimethyl-1,3-dioxane-4,6-dione;ethyl 4-(2-methoxyethoxy)-3-oxobutanoate
CID 159459796
5-fluoro-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10997358

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium?
The IUPAC name of (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium (CID 147724885) is (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium.
What is the SMILES notation for (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium?
The canonical SMILES for (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium is [H]/[O+]=C1\CC(=O)OC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium?
The InChIKey is GXHFUVWIGNLZSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3/p+1.
What are the key properties of (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium?
(2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium has a molecular weight of 145.13 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene)oxidanium is sourced from PubChem (CID 147724885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).