1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
5694-81-5- Standard SMILES
CC(C)CC1(CC(C)C)OCC(CO)O1- InChIKey
FKXRTSJSCQXMBP-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
- IUPAC
- [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
- English name
- 2,2-Bis(2-methylpropyl)-1,3-dioxolane-4-methanol
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
2,2-Diisobutyl-1,3-dioxolane-4-methanol5694-81-5BRN 01113891,3-DIOXOLANE-4-METHANOL, 2,2-DIISOBUTYL-4-19-00-00684 (Beilstein Handbook Reference)RefChem:218982[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanolSCHEMBL1677890DTXSID60972390(2,2-diisobutyl-[1,3]dioxolan-4-yl)-methanol2,2-Bis(2-methylpropyl)-1,3-dioxolane-4-methanol1,3-Dioxolane-4-methanol, 2,2-bis(2-methylpropyl)-
Database identifiers
- CAS
5694-81-5- PubChem CID
- 21903
- DTXSID
DTXSID60972390- Nikkaji
- J42.140E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…