4-(Chloromethyl)-2-hexyl-1,3-dioxolane
Basic information
- CAS
54788-09-9- Standard SMILES
CCCCCCC1OCC(CCl)O1- InChIKey
MQNUIGUARMRLPC-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.1073575
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-hexyl-1,3-dioxolane
- IUPAC
- 4-(chloromethyl)-2-hexyl-1,3-dioxolane
Names & synonyms
4-(Chloromethyl)-2-hexyl-1,3-dioxolane1,3-Dioxolane, 4-(chloromethyl)-2-hexyl-54788-09-9DTXSID90970122NSC-41973RefChem:1070062ZG5NV929YKDTXCID801397660NSC 419732-Hexyl-4-chloromethyl-1,3-dioxolaneBRN 0108186AI3-09398
Show more names
NSC419731, 4-(chloromethyl)-2-hexyl-AKOS017547937
Database identifiers
- CAS
54788-09-9- PubChem CID
- 97800
- DTXSID
DTXSID90970122
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
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Compound notes
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