1,6-Dioxaspiro(4.4)nonane

HCID 67433

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Basic information

CAS: 176-25-0
Standard SMILES: C1COC2(C1)CCCO2
InChIKey: YVSCOIUNVKGTND-UHFFFAOYSA-N
Molecular formula: C7H12O2
Average molar mass: 128.17 g/mol
Monoisotopic mass: 128.08372962

Names & identifiers

Preferred name: 1,6-Dioxaspiro(4.4)nonane
IUPAC: 1,6-dioxaspiro[4.4]nonane
English name: 1,6-Dioxaspiro[4.4]nonane
Molecular formula: C7H12O2
Molecular weight: 128.17

Names & synonyms

1,6-Dioxaspiro[4.4]nonane176-25-01,6-Dioxaspiro(4.4)nonaneAI3-19473DTXSID60170056NSC 18515RefChem:73612DTXCID9092547InChI=1/C7H12O2/c1-3-7(8-5-1)4-2-6-9-7/h1-6HNSC-18515NSC18515QW265LWD3W

Show more names

SCHEMBL1719618SCHEMBL17104734SCHEMBL171047531,6-dioxaspiro-[4,4]-nonaneYVSCOIUNVKGTND-UHFFFAOYSA-NAKOS006279241

Database identifiers

CAS: 176-25-0
PubChem CID: 67433
DTXSID: DTXSID60170056
UNII: QW265LWD3W
Nikkaji: J346.294C

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.5

Related reactions

1 records

New reaction record

HRID 917864As reactantuspto-grants-1976_07

Compound notes

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