a Retinal

HCID 1070
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Basic information

Standard SMILES
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O
InChIKey
NCYCYZXNIZJOKI-UHFFFAOYSA-N
Molecular formula
C20H28O
Average molar mass
284.4 g/mol
Monoisotopic mass
284.21401551

Names & identifiers

Preferred name
a Retinal
IUPAC
3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

Names & synonyms

a retinalRefChem:1075121retinal all-transSCHEMBL106994SCHEMBL514853HMS3752I21s6132AKOS030242128NS00080155NS00096404Q4220013,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal

Database identifiers

PubChem CID
1070
DTXSID
DTXSID00859212
ChEBI
CHEBI:15035

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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