5-Cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 536795

Notes Reactions

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Basic information

CAS: 3968-30-7
Standard SMILES: CC1(C)OC(=O)C(=C2CCCC2)C(=O)O1
InChIKey: UNLICWFXGAYRLK-UHFFFAOYSA-N
Molecular formula: C11H14O4
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.08920892

Names & identifiers

Preferred name: 5-Cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC: 5-cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
English name: 5-Cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Molecular weight: 0

Names & synonyms

5-Cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione3968-30-7DTXSID00336856RefChem:302743DTXCID90287944UNLICWFXGAYRLK-UHFFFAOYSA-NSCHEMBL2803375

Database identifiers

CAS: 3968-30-7
PubChem CID: 536795
DTXSID: DTXSID00336856
Nikkaji: J3.781.213G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 322

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2,2-Dimethyl-1,3-dioxane-4,6-dione Cyclopentanone

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

3 records

New reaction record

HRID 449454As productuspto-grants-2013_07

HRID 449455As reactantuspto-grants-2013_07

HRID 2158559As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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