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CAS 60705-20-6 1-Iodododec-1-yne (HCID 13600587)｜Huagongshe

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Compound

1-Iodododec-1-yne

HCID 13600587

Notes Reactions

Basic information Names & identifiers Properties Related reactions Compound notes

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Basic information

CAS: 60705-20-6
Standard SMILES: CCCCCCCCCCC#CI
InChIKey: BHFPDGOBWCGPJT-UHFFFAOYSA-N
Molecular formula: C12H21I
Average molar mass: 292.2 g/mol
Monoisotopic mass: 292.06879867

Names & identifiers

Preferred name: 1-Iodododec-1-yne
IUPAC: 1-iodododec-1-yne

Names & synonyms

1-IODODODEC-1-YNE60705-20-6DTXSID00544752RefChem:231092DTXCID404955371-iodo-1-dodecyneSCHEMBL10397037BHFPDGOBWCGPJT-UHFFFAOYSA-N

Database identifiers

CAS: 60705-20-6
PubChem CID: 13600587
DTXSID: DTXSID00544752
Nikkaji: J2.882.304E

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Related reactions

2 records

New reaction record

HRID 138437 reaction equation

HRID 138437As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2106976 reaction equation

HRID 2106976As reactantuspto-grants-1990_06

Compound notes

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