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3-(1-Octen-1-yl)-4-isopropylcyclohexanone

HCID 54530926
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCC=CC1CC(=O)CCC1C(C)C
InChIKey
YWLYLYANWDDLHW-UHFFFAOYSA-N
Molecular formula
C17H30O
Average molar mass
250.4 g/mol

Names & identifiers

Preferred name
3-(1-Octen-1-yl)-4-isopropylcyclohexanone
IUPAC
3-oct-1-enyl-4-propan-2-ylcyclohexan-1-one

Names & synonyms

SCHEMBL9044404YWLYLYANWDDLHW-UHFFFAOYSA-N3-(1-octen-1-yl)-4-isopropylcyclohexanone

Database identifiers

PubChem CID
54530926

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
18
Formal charge
0
Complexity
265

Related reactions

6 records
New reaction record
HRID 136875 reaction equation
HRID 136875As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 938481 reaction equation
HRID 938481As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1131517 reaction equation
HRID 1131517As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1654257 reaction equation
HRID 1654257As productuspto-grants-1995_04
HRID 1654259 reaction equation
HRID 1654259As productuspto-grants-1995_04
HRID 1654260 reaction equation
HRID 1654260As productuspto-grants-1995_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes