4-Hydroxy-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenenitrile

HCID 86747213
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Basic information

Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=C(O)C=C(C#N)C(C)C
InChIKey
BVJIETHLLAENEU-UHFFFAOYSA-N
Molecular formula
C20H31NO
Average molar mass
301.5 g/mol

Names & identifiers

Preferred name
4-Hydroxy-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenenitrile
IUPAC
4-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraenenitrile

Names & synonyms

SCHEMBL9427271BVJIETHLLAENEU-UHFFFAOYSA-N4-hydroxy-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenenitrile

Database identifiers

PubChem CID
86747213

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
22

Related reactions

3 records
New reaction record

Linked notes

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