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1-Chloro-5-hydroxy-5-methylhexane

HCID 13747679
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(O)CCCCCl
InChIKey
HJPBXTSDJGSZRR-UHFFFAOYSA-N
Molecular formula
C7H15ClO
Average molar mass
150.64 g/mol

Names & identifiers

Preferred name
1-Chloro-5-hydroxy-5-methylhexane
IUPAC
6-chloro-2-methylhexan-2-ol

Names & synonyms

1-chloro-5-methyl-5-hexanolSCHEMBL1461549HJPBXTSDJGSZRR-UHFFFAOYSA-N1-chloro-5-hydroxy-5-methylhexaneAKOS006386537

Database identifiers

PubChem CID
13747679

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
71.3

Related reactions

22 records
New reaction record
HRID 93923 reaction equation
HRID 93923As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 104773 reaction equation
HRID 104773As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 123423 reaction equation
HRID 123423As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 307043 reaction equation
HRID 307043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 818019 reaction equation
HRID 818019As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1003726 reaction equation
HRID 1003726As reactantuspto-grants-2000_04
HRID 1003727 reaction equation
HRID 1003727As reactantuspto-grants-2000_04
HRID 1031077 reaction equation
HRID 1031077As reactantuspto-grants-1992_04
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Compound notes

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