Basic information
- CAS
63917-49-7- Standard SMILES
CCCCCC1(C)OCC(COC(C)=O)O1- InChIKey
SRVZUFBIUWFSMG-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
- IUPAC
- (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
- English name
- 2-Methyl-2-pentyl-1,3-dioxolane-4-methanol acetate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
63917-49-7(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetateDTXSID60981063RefChem:1049715DTXCID6014083362-Methyl-2-pentyl-1,3-dioxolane-4-methanol acetateNSC503431,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-PENTYL-, ACETATE1, 2-methyl-2-pentyl-, acetateNSC 50343NSC-50343DB-314144
Show more names
1,3-Dioxolane-4-methanol, 2-methyl-2-pentyl-, 4-acetate
Database identifiers
- CAS
63917-49-7- PubChem CID
- 45286
- DTXSID
DTXSID60981063- Nikkaji
- J83.713J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 284.4 · 284.4±20.0 °C(Predicted)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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