1,6-Dichloro-3,3,6-trimethylhept-1-yne

HCID 15919151

Notes Reactions

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Basic information

CAS: 109749-70-4
Standard SMILES: CC(C)(Cl)CCC(C)(C)C#CCl
InChIKey: QFSURJYBQNJGDH-UHFFFAOYSA-N
Molecular formula: C10H16Cl2
Average molar mass: 207.14 g/mol
Monoisotopic mass: 206.0629059

Names & identifiers

Preferred name: 1,6-Dichloro-3,3,6-trimethylhept-1-yne
IUPAC: 1,6-dichloro-3,3,6-trimethylhept-1-yne

Names & synonyms

1,6-Dichloro-3,3,6-trimethylhept-1-yne109749-70-4DTXSID50579579RefChem:221513DTXCID70530344SCHEMBL10546144QFSURJYBQNJGDH-UHFFFAOYSA-N1,6-dichloro-3,3,6-trimethyl-1-heptyne

Database identifiers

CAS: 109749-70-4
PubChem CID: 15919151
DTXSID: DTXSID50579579

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 202

Related reactions

3 records

New reaction record

HRID 137918As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1195018As productuspto-grants-1989_03

HRID 1195020As productuspto-grants-1989_03

Compound notes

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