1,1-Dimethoxy-6-iodohexane

HCID 20526840

Substructure search Find similar structures

Basic information

Standard SMILES: COC(CCCCCI)OC
InChIKey: UUJKMAMBJPAFIZ-UHFFFAOYSA-N
Molecular formula: C8H17IO2
Average molar mass: 272.12 g/mol

Names & identifiers

Preferred name: 1,1-Dimethoxy-6-iodohexane
IUPAC: 6-iodo-1,1-dimethoxyhexane

Names & synonyms

1,1-dimethoxy-6-iodohexaneSCHEMBL11043330UUJKMAMBJPAFIZ-UHFFFAOYSA-N

Database identifiers

PubChem CID: 20526840
Nikkaji: J1.345.081A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 74.5

Related reactions

8 records

New reaction record

HRID 67275 reaction equation

HRID 67275As productuspto-grants-1982_08

HRID 67276 reaction equation

HRID 67276As reactantuspto-grants-1982_08

HRID 67277 reaction equation

HRID 67277As reactantuspto-grants-1982_08

HRID 825243 reaction equation

HRID 825243As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1155593 reaction equation

HRID 1155593As productuspto-grants-1981_11

HRID 1155594 reaction equation

HRID 1155594As reactantuspto-grants-1981_11

HRID 1155595 reaction equation

HRID 1155595As reactantuspto-grants-1981_11

HRID 1566263 reaction equation

HRID 1566263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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