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3-Methyl-4-prop-2-enylcyclohexan-1-one

HCID 19855348
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CCC1CCC(=O)CC1C
InChIKey
BANSMENENAKUEJ-UHFFFAOYSA-N
Molecular formula
C10H16O
Average molar mass
152.23 g/mol

Names & identifiers

Preferred name
3-Methyl-4-prop-2-enylcyclohexan-1-one
IUPAC
3-methyl-4-prop-2-enylcyclohexan-1-one

Names & synonyms

SCHEMBL10406367

Database identifiers

PubChem CID
19855348

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
160

Related reactions

2 records
New reaction record
HRID 186558 reaction equation
HRID 186558As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1542540 reaction equation
HRID 1542540As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes