(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

C35H62O2Se — CID 122215527

IUPAC(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCCCCCCCC[Se]c1c(O)cc(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C35H62O2Se/c1-8-9-10-11-12-13-25-38-34-31-22-24-35(7,37-33(31)30(6)26-32(34)36)23-16-21-29(5)20-15-19-28(4)18-14-17-27(2)3/h26-29,36H,8-25H2,1-7H3/t28-,29-,35-/m1/s1
InChIKeyXRYKPAXKALKTJG-SHHYTYQISA-N
MW593.84 g/mol
LogP10.33
Rot. Bonds20

About (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (PubChem CID 122215527) has the molecular formula C35H62O2Se and a molecular weight of 593.84 g/mol. Its IUPAC name is (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
PubChem CID122215527
Molecular FormulaC35H62O2Se
Molecular Weight593.84 g/mol
Exact Mass594.39
IUPAC Name(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCCCCCCCC[Se]c1c(O)cc(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C35H62O2Se/c1-8-9-10-11-12-13-25-38-34-31-22-24-35(7,37-33(31)30(6)26-32(34)36)23-16-21-29(5)20-15-19-28(4)18-14-17-27(2)3/h26-29,36H,8-25H2,1-7H3/t28-,29-,35-/m1/s1
InChIKeyXRYKPAXKALKTJG-SHHYTYQISA-N
XLogP10.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.84
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol with MolForge

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Related Compounds

2-[8,12-dimethyl-4-(trifluoromethyl)tridecyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-ol
CID 10457449
(2R)-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 53393643
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
phosphoric acid;(2R)-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174558710
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dodecanoate
CID 163104889
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 15929268
(2R)-5-[2-[(2R)-6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-yl]ethyl]-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 13343559
[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate
CID 11600375
8-bromo-6-butoxy-2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene
CID 70849628

Frequently Asked Questions

What is the IUPAC name of (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (CID 122215527) is (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is CCCCCCCC[Se]c1c(O)cc(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The InChIKey is XRYKPAXKALKTJG-SHHYTYQISA-N. The full InChI is InChI=1S/C35H62O2Se/c1-8-9-10-11-12-13-25-38-34-31-22-24-35(7,37-33(31)30(6)26-32(34)36)23-16-21-29(5)20-15-19-28(4)18-14-17-27(2)3/h26-29,36H,8-25H2,1-7H3/t28-,29-,35-/m1/s1.
What are the key properties of (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol has a molecular weight of 593.84 g/mol, XLogP of 10.33, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 122215527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).