2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol

C29H44O2 — CID 67933965

IUPAC2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC1(C)Oc2ccc(O)cc2C(C)C1(C)C
InChIInChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-29(8)28(6,7)24(5)26-20-25(30)17-18-27(26)31-29/h12,14,16-18,20,24,30H,9-11,13,15,19H2,1-8H3
InChIKeyILORDYMVPIHFPV-UHFFFAOYSA-N
MW424.67 g/mol
LogP8.87
Rot. Bonds9

About 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol

2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol (PubChem CID 67933965) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol.

Molecular Properties

Compound Name2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol
PubChem CID67933965
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC1(C)Oc2ccc(O)cc2C(C)C1(C)C
InChIInChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-29(8)28(6,7)24(5)26-20-25(30)17-18-27(26)31-29/h12,14,16-18,20,24,30H,9-11,13,15,19H2,1-8H3
InChIKeyILORDYMVPIHFPV-UHFFFAOYSA-N
XLogP8.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-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

(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
CID 162959945
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
CID 155554322
2,3,3,4-tetramethyl-2-(4,8,12-trimethyltridecyl)-4H-chromen-6-ol
CID 22908579
(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
CID 11036345
(3R,4S,5R)-3-(2,4-dihydroxybenzoyl)-5-(4,8-dimethylnona-3,7-dienyl)-4,5-dimethyloxolan-2-one
CID 162990352
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
CID 141403807
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2H-chromen-6-ol
CID 102439475
(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3,4-dihydrochromene-3,5-diol
CID 162923610
2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-hydroxy-2-methyl-3,4-dihydrochromene-6-carboxylic acid
CID 10338460
2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
CID 175738144
2,5,5-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,3-dioxane
CID 123618737

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol?
The IUPAC name of 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol (CID 67933965) is 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol.
What is the SMILES notation for 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol?
The canonical SMILES for 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol is CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)Oc2ccc(O)cc2C(C)C1(C)C.
What is the InChIKey of 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol?
The InChIKey is ILORDYMVPIHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-29(8)28(6,7)24(5)26-20-25(30)17-18-27(26)31-29/h12,14,16-18,20,24,30H,9-11,13,15,19H2,1-8H3.
What are the key properties of 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol?
2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol has a molecular weight of 424.67 g/mol, XLogP of 8.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol is sourced from PubChem (CID 67933965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).