2,6,6-Trimethyl-1-[1-hydroxy-2-butynyl]-2-cyclohexene

HCID 12931925
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Basic information

Standard SMILES
CC#CC(O)C1C(C)=CCCC1(C)C
InChIKey
HKJPQWGQKBNTCY-UHFFFAOYSA-N
Molecular formula
C13H20O
Average molar mass
192.3 g/mol

Names & identifiers

Preferred name
2,6,6-Trimethyl-1-[1-hydroxy-2-butynyl]-2-cyclohexene
IUPAC
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-yn-1-ol

Names & synonyms

SCHEMBL11449009HKJPQWGQKBNTCY-UHFFFAOYSA-N2,6,6-trimethyl-1-[1-hydroxy-2-butynyl]-2-cyclohexene

Database identifiers

PubChem CID
12931925
Nikkaji
J2.711.309E

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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