(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

C33H58O2 — CID 15929268

IUPAC(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCc1c2c(c(C(C)C)c(O)c1C(C)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C33H58O2/c1-22(2)14-11-15-25(7)16-12-17-26(8)18-13-20-33(10)21-19-28-30(24(5)6)31(34)29(23(3)4)27(9)32(28)35-33/h22-26,34H,11-21H2,1-10H3/t25-,26-,33-/m1/s1
InChIKeyHAFMBVWUUSFAIG-AHYUKCMYSA-N
MW486.83 g/mol
LogP10.47
Rot. Bonds14

About (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (PubChem CID 15929268) has the molecular formula C33H58O2 and a molecular weight of 486.83 g/mol. Its IUPAC name is (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
PubChem CID15929268
Molecular FormulaC33H58O2
Molecular Weight486.83 g/mol
Exact Mass486.44
IUPAC Name(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCc1c2c(c(C(C)C)c(O)c1C(C)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C33H58O2/c1-22(2)14-11-15-25(7)16-12-17-26(8)18-13-20-33(10)21-19-28-30(24(5)6)31(34)29(23(3)4)27(9)32(28)35-33/h22-26,34H,11-21H2,1-10H3/t25-,26-,33-/m1/s1
InChIKeyHAFMBVWUUSFAIG-AHYUKCMYSA-N
XLogP10.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
2,5,7,8-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
(2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane
CID 142957328
(2R)-6-hydroxy-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-7-carbaldehyde
CID 15385866
2,5,7,8-tetramethyl-2-[(4R,8S,12S)-4,8,12,13-tetramethyltetradecyl]-3,4-dihydrochromen-6-ol
CID 134876410
(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
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-6-thiol
CID 154968639
2,5,8-trimethyl-7-(nitrosomethyl)-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 91360040

Frequently Asked Questions

What is the IUPAC name of (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (CID 15929268) is (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is Cc1c2c(c(C(C)C)c(O)c1C(C)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The InChIKey is HAFMBVWUUSFAIG-AHYUKCMYSA-N. The full InChI is InChI=1S/C33H58O2/c1-22(2)14-11-15-25(7)16-12-17-26(8)18-13-20-33(10)21-19-28-30(24(5)6)31(34)29(23(3)4)27(9)32(28)35-33/h22-26,34H,11-21H2,1-10H3/t25-,26-,33-/m1/s1.
What are the key properties of (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol has a molecular weight of 486.83 g/mol, XLogP of 10.47, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 15929268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).