Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-Methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hept-2-en-1-ol (HCID 54096086)|Huagongshe
Home
/
Compound
2-Methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hept-2-en-1-ol
HCID
54096086
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(=CCCCCC1=C(C)CCCC1(C)C)CO
InChIKey
MXEVNTKHRGYFLG-UHFFFAOYSA-N
Molecular formula
C17H30O
Average molar mass
250.4 g/mol
Names & identifiers
Preferred name
2-Methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hept-2-en-1-ol
IUPAC
2-methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hept-2-en-1-ol
Names & synonyms
SCHEMBL9257293
Database identifiers
PubChem CID
54096086
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
321
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
698388
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
Loading…