4-(Chloromethyl)-2-methyl-2-pentyl-1,3-dioxolane

HCID 37408

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Basic information

CAS: 36236-73-4
Standard SMILES: CCCCCC1(C)OCC(CCl)O1
InChIKey: HFNJYHPLTFGNLJ-UHFFFAOYSA-N
Molecular formula: C10H19ClO2
Average molar mass: 206.71 g/mol
Monoisotopic mass: 206.1073575

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-methyl-2-pentyl-1,3-dioxolane
IUPAC: 4-(chloromethyl)-2-methyl-2-pentyl-1,3-dioxolane

Names & synonyms

4-(Chloromethyl)-2-methyl-2-pentyl-1,3-dioxolane36236-73-4AY 223521,3-DIOXALANE, 4-CHLOROMETHYL-2-METHYL-2-PENTYL-0QR5256JSA1,3-Dioxolane, 4-(chloromethyl)-2-methyl-2-pentyl-NSC-44539AY-22352DTXSID609576274-Chloromethyl-2-methyl-2-pentyl-1,3-dioxolaneAY 22,352RefChem:115864

Show more names

DTXCID201385560NSC 44539AY-22,352AI3-32110UNII-0QR5256JSAorb1698248NSC44539AKOS017547956

Database identifiers

CAS: 36236-73-4
PubChem CID: 37408
DTXSID: DTXSID60957627
UNII: 0QR5256JSA

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 152

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