3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol

C29H50O2 — CID 15166479

IUPAC3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol
SMILESCc1c(C)c2c(c(C)c1O)OCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2
InChIInChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-29(8)18-26-23(5)24(6)27(30)25(7)28(26)31-19-29/h20-22,30H,9-19H2,1-8H3
InChIKeyKTKUIPBOWQHQAW-UHFFFAOYSA-N
MW430.72 g/mol
LogP8.70
Rot. Bonds12

About 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol

3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol (PubChem CID 15166479) has the molecular formula C29H50O2 and a molecular weight of 430.72 g/mol. Its IUPAC name is 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol
PubChem CID15166479
Molecular FormulaC29H50O2
Molecular Weight430.72 g/mol
Exact Mass430.38
IUPAC Name3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol
SMILESCc1c(C)c2c(c(C)c1O)OCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2
InChIInChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-29(8)18-26-23(5)24(6)27(30)25(7)28(26)31-19-29/h20-22,30H,9-19H2,1-8H3
InChIKeyKTKUIPBOWQHQAW-UHFFFAOYSA-N
XLogP8.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-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

1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 78020024
(3R)-3,5,7,8-tetramethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,4-dihydroisochromen-6-ol
CID 171350398
(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene
CID 58937808
(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
(2S)-2,5,7,8-tetramethyl-3,3-bis(prop-2-enyl)-2-[(4R,8S)-4,8,12-trimethyltridecyl]-4H-chromen-6-ol
CID 169097579
2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 12018728
(2S,3S)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 59260229
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
CID 59283316
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

Frequently Asked Questions

What is the IUPAC name of 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol?
The IUPAC name of 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol (CID 15166479) is 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol.
What is the SMILES notation for 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol?
The canonical SMILES for 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol is Cc1c(C)c2c(c(C)c1O)OCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2.
What is the InChIKey of 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol?
The InChIKey is KTKUIPBOWQHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-29(8)18-26-23(5)24(6)27(30)25(7)28(26)31-19-29/h20-22,30H,9-19H2,1-8H3.
What are the key properties of 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol?
3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol has a molecular weight of 430.72 g/mol, XLogP of 8.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol is sourced from PubChem (CID 15166479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).