2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
Basic information
- CAS
4361-59-5- Standard SMILES
CCCCCC1(C)OCC(CO)O1- InChIKey
HJELPCHEJDULNR-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
- IUPAC
- (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol
- English name
- GLYKETAL
- Molecular weight
- 0
Names & synonyms
Glyketal2-Methyl-2-pentyl-1,3-dioxolane-4-methanol4361-59-52-Methyl-2-n-amyl-4-hydroxymethyl-1,3-dioxolaneUNII-8W7D2CIN29NSC 27439BRN 01083608W7D2CIN292-Heptanone, cyclic (hydroxymethyl)ethylene acetal1,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-PENTYL-NSC-274394-19-00-00681 (Beilstein Handbook Reference)
Show more names
4-Hydroxymethyl-2-methyl-2-pentyl-1,3-dioxolane
2-METHYL-2-PENTYL-1,3-DIOXOLAN-4-YLMETHANOLRefChem:88043(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanolSCHEMBL6114044DTXSID80963088NSC27439WLN: T5O COTJ B5 B1 D1QAKOS006277946
Database identifiers
- CAS
4361-59-5- PubChem CID
- 20370
- DTXSID
DTXSID80963088- UNII
- 8W7D2CIN29
- Nikkaji
- J8.709B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 263.28 °C · 263.28°C (rough estimate)
- Density
- 1.019 · 1.0190 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- Water Solubility
- 9.583 g/L · 9.583g/L(25 ºC)
- FDA UNII
- 8 W7D2CIN29 · 8W7D2CIN29
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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