Basic information
- CAS
63917-45-3- Standard SMILES
COC1COC2(CCC(C)CC2)O1- InChIKey
GTNBAFNCGONZMY-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro(4.5)decane-3-methanol, 8-methyl-
- IUPAC
- 3-methoxy-8-methyl-1,4-dioxaspiro[4.5]decane
- English name
- 8-Methyl-1,4-dioxaspiro[4.5]decane-2-methanol
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
8-Methyl-1,4-dioxaspiro(4.5)decane-3-methanol1,4-DIOXASPIRO(4.5)DECANE-3-METHANOL, 8-METHYL-RefChem:22078163917-45-3DTXSID809810602-methoxy-8-methyl-1,4-dioxaspiro[4.5]decane8-Methyl-1,4-dioxaspiro[4.5]decane-2-methanol1,4-Dioxaspiro[4.5]decane-2-methanol, 8-methyl-
Database identifiers
- CAS
63917-45-3- PubChem CID
- 45282
- DTXSID
DTXSID80981060
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 289.2 · 289.2±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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