(R,R,R)-2-allyl-3-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-5,6-dimethyl-[1,4]benzoquinone

HCID 58771193
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCC1=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C(C)=C(C)C1=O
InChIKey
BXPHFUUGTSTYTL-OVMXQCPESA-N
Molecular formula
C31H52O3
Average molar mass
472.7 g/mol
Monoisotopic mass
472.39164552

Names & identifiers

Preferred name
(R,R,R)-2-allyl-3-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-5,6-dimethyl-[1,4]benzoquinone
IUPAC
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-5,6-dimethyl-3-prop-2-enylcyclohexa-2,5-diene-1,4-dione

Names & synonyms

SCHEMBL3057541BXPHFUUGTSTYTL-OVMXQCPESA-N(R,R,R)-2-allyl-3-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-5,6-dimethyl-[1,4]benzoquinone

Database identifiers

PubChem CID
58771193

Properties

Computed structural properties

XLogP
9.5
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
17
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

Loading…