(R,R,R)-5-allyl-2,7,8-trimethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol

HCID 58771198
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Basic information

Standard SMILES
C=CCc1c(O)c(C)c(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIKey
NNDFNTINQMJMAU-OVMXQCPESA-N
Molecular formula
C31H52O2
Average molar mass
456.7 g/mol

Names & identifiers

Preferred name
(R,R,R)-5-allyl-2,7,8-trimethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol
IUPAC
(2R)-2,7,8-trimethyl-5-prop-2-enyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

Names & synonyms

SCHEMBL3050920NNDFNTINQMJMAU-OVMXQCPESA-N(R,R,R)-5-allyl-2,7,8-trimethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol

Database identifiers

PubChem CID
58771198

Properties

Computed structural properties

XLogP
11.4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
33

Related reactions

1 records
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Compound notes

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