(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene

C30H52O2 — CID 146823201

IUPAC(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22?,23-,30-/m1/s1
InChIKeySCLDYIHKBCFVTE-HIJNAXPRSA-N
MW444.74 g/mol
LogP9.14
Rot. Bonds13

About (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene

(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene (PubChem CID 146823201) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene.

Molecular Properties

Compound Name(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
PubChem CID146823201
Molecular FormulaC30H52O2
Molecular Weight444.74 g/mol
Exact Mass444.40
IUPAC Name(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22?,23-,30-/m1/s1
InChIKeySCLDYIHKBCFVTE-HIJNAXPRSA-N
XLogP9.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethoxy)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene;methane;6-methoxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene
CID 158624941
(2R)-2,5,7,8-tetramethyl-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 11992150
2-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]ethanamine
CID 50941370
[(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
CID 7059472
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-6-thiol
CID 154968639
sodium bis[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] phosphate
CID 53468605
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
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate
CID 91392163
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
[(2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-(dimethylamino)acetate
CID 11376297
phosphane;[(2R)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-methylbutanoate
CID 155713441

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The IUPAC name of (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene (CID 146823201) is (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene.
What is the SMILES notation for (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The canonical SMILES for (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene is COc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCCC(C)CCCC(C)C)O2.
What is the InChIKey of (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The InChIKey is SCLDYIHKBCFVTE-HIJNAXPRSA-N. The full InChI is InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22?,23-,30-/m1/s1.
What are the key properties of (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene has a molecular weight of 444.74 g/mol, XLogP of 9.14, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene is sourced from PubChem (CID 146823201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).