Basic information
- CAS
165657-74-9- Standard SMILES
CC1(C)OC[C@@H](CCI)O1- InChIKey
BABASTDSXZONTL-ZCFIWIBFSA-N- Molecular formula
- C7H13IO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 255.99602766
Names & identifiers
- Preferred name
- (4R)-4-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane
- IUPAC
- (4R)-4-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane
- English name
- (R)-4-(2-IODO-ETHYL)-2,2-DIMETHYL-[1,3]DIOXOLANE
- Molecular formula
- C7H13IO2
- Molecular weight
- 256.08
Names & synonyms
165657-74-9(4R)-4-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane(R)-4-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane(R)-4-(2-IODOETHYL)-2,2-DIMETHYL-[1,3]DIOXOLANEstarbld0008543SCHEMBL4475938CHEMBL4097727DTXSID70653865BABASTDSXZONTL-ZCFIWIBFSA-NMFCD11501400DB-290183(R)-4-(2-IODO-ETHYL)-2,2-DIMETHYL-[1,3]DIOXOLANE
Show more names
1,3-Dioxolane, 4-(2-iodoethyl)-2,2-dimethyl-, (4R)-
Database identifiers
- CAS
165657-74-9- PubChem CID
- 39871826
- DTXSID
DTXSID70653865- ChEMBL
CHEMBL4097727- Nikkaji
- J2.976.729G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 236.3 · 236.3±15.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
4 records
Compound notes
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