5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol

C28H48O3 — CID 59283316

IUPAC5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
SMILESCc1c(C)c2c(c(C)c1O)CCC(O)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C28H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(30)18-16-25-24(7)26(29)22(5)23(6)27(25)31-28/h19-21,29-30H,8-18H2,1-7H3
InChIKeyMTTQEEGOSXYSHR-UHFFFAOYSA-N
MW432.69 g/mol
LogP7.77
Rot. Bonds12

About 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol

5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol (PubChem CID 59283316) has the molecular formula C28H48O3 and a molecular weight of 432.69 g/mol. Its IUPAC name is 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol.

Molecular Properties

Compound Name5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
PubChem CID59283316
Molecular FormulaC28H48O3
Molecular Weight432.69 g/mol
Exact Mass432.36
IUPAC Name5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
SMILESCc1c(C)c2c(c(C)c1O)CCC(O)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C28H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(30)18-16-25-24(7)26(29)22(5)23(6)27(25)31-28/h19-21,29-30H,8-18H2,1-7H3
InChIKeyMTTQEEGOSXYSHR-UHFFFAOYSA-N
XLogP7.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

12-hydroxydodecanoic acid;5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
CID 162163428
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
sulfuric acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175105897
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
dodecanedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175067770
decanedioic acid;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 66664845
3-oxobutanoic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175492482
2,5,7,8-tetramethyl-2-[(4R,8S,12S)-4,8,12,13-tetramethyltetradecyl]-3,4-dihydrochromen-6-ol
CID 134876410

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol?
The IUPAC name of 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol (CID 59283316) is 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol.
What is the SMILES notation for 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol?
The canonical SMILES for 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol is Cc1c(C)c2c(c(C)c1O)CCC(O)(CCCC(C)CCCC(C)CCCC(C)C)O2.
What is the InChIKey of 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol?
The InChIKey is MTTQEEGOSXYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(30)18-16-25-24(7)26(29)22(5)23(6)27(25)31-28/h19-21,29-30H,8-18H2,1-7H3.
What are the key properties of 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol?
5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol has a molecular weight of 432.69 g/mol, XLogP of 7.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol is sourced from PubChem (CID 59283316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).