5,5-Dimethyl-2-propyl-1,3-dioxane

Substructure search Find similar structures

Basic information

CAS: 876-28-8
Standard SMILES: CCCC1OCC(C)(C)CO1
InChIKey: MPKIYLAWIVBZKX-UHFFFAOYSA-N
Molecular formula: C9H18O2
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.13067981

Names & identifiers

Preferred name: 5,5-Dimethyl-2-propyl-1,3-dioxane
IUPAC: 5,5-dimethyl-2-propyl-1,3-dioxane

Names & synonyms

5,5-dimethyl-2-propyl-1,3-dioxane876-28-8DTXSID00278308RefChem:298370DTXCID50229466NSC 6994NSC 23476NSC6994SCHEMBL9837966SCHEMBL18529844MPKIYLAWIVBZKX-UHFFFAOYSA-NNSC-6994

Show more names

NSC23476NSC-23476DS-008859

Database identifiers

CAS: 876-28-8
PubChem CID: 221887
DTXSID: DTXSID00278308
Nikkaji: J553.818A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 111

Related reactions

1 records

New reaction record

HRID 1050891As reactantuspto-grants-2016_07

Compound notes

Loading…