Basic information
- CAS
157733-17-0- Standard SMILES
CCCC1OC(C(C)(C)C)OC1=O- InChIKey
ILGODMRZDJWLOV-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- 2-t-Butyl-5-propyl-[1,3]dioxolan-4-one
- IUPAC
- 2-tert-butyl-5-propyl-1,3-dioxolan-4-one
- English name
- 2-t-Butyl-5-propyl-[1,3]dioxolan-4-one
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
2-t-Butyl-5-propyl-[1,3]dioxolan-4-one157733-17-0DTXSID803379822-t-Butyl-5-propyl-(1,3)dioxolan-4-oneRefChem:267062DTXCID90289069ILGODMRZDJWLOV-UHFFFAOYSA-N2-tert-Butyl-5-propyl-1,3-dioxolan-4-oneSCHEMBL284065722-tert-Butyl-5-propyl-1,3-dioxolan-4-one #1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-propyl-, (2S-cis)- (9CI)
Database identifiers
- CAS
157733-17-0- PubChem CID
- 545784
- DTXSID
DTXSID80337982
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 251.9 · 251.9±15.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…