2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene

C29H44O — CID 176937160

IUPAC2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene
SMILESCC(C)=CCC/C(C)=C/CCC/C(C)=C/CCC1(C)CCc2cc(C)cc(C)c2O1
InChIInChI=1S/C29H44O/c1-22(2)12-10-15-23(3)13-8-9-14-24(4)16-11-18-29(7)19-17-27-21-25(5)20-26(6)28(27)30-29/h12-13,16,20-21H,8-11,14-15,17-19H2,1-7H3/b23-13+,24-16+
InChIKeyMIXJDQYPVDJCPC-OENTUMBLSA-N
MW408.67 g/mol
LogP8.98
Rot. Bonds10

About 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene

2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene (PubChem CID 176937160) has the molecular formula C29H44O and a molecular weight of 408.67 g/mol. Its IUPAC name is 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene.

Molecular Properties

Compound Name2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene
PubChem CID176937160
Molecular FormulaC29H44O
Molecular Weight408.67 g/mol
Exact Mass408.34
IUPAC Name2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene
SMILESCC(C)=CCC/C(C)=C/CCC/C(C)=C/CCC1(C)CCc2cc(C)cc(C)c2O1
InChIInChI=1S/C29H44O/c1-22(2)12-10-15-23(3)13-8-9-14-24(4)16-11-18-29(7)19-17-27-21-25(5)20-26(6)28(27)30-29/h12-13,16,20-21H,8-11,14-15,17-19H2,1-7H3/b23-13+,24-16+
InChIKeyMIXJDQYPVDJCPC-OENTUMBLSA-N
XLogP8.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene with MolForge

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Related Compounds

(2S)-2,6-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-8-ol
CID 162963850
(2R)-6-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]peroxy]-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 163185406
(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
CID 163010876
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 144558587
(2S)-2,7,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242640
(2R)-2,7,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242642
(2S)-2,7,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242639
(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
CID 102351627
(2R)-2,5,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242636
(2S)-2,5,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 93481605
4-[[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxobut-2-enoic acid
CID 67350936
(4E,8E)-11-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienoic acid
CID 164609879

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene?
The IUPAC name of 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene (CID 176937160) is 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene.
What is the SMILES notation for 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene?
The canonical SMILES for 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene is CC(C)=CCC/C(C)=C/CCC/C(C)=C/CCC1(C)CCc2cc(C)cc(C)c2O1.
What is the InChIKey of 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene?
The InChIKey is MIXJDQYPVDJCPC-OENTUMBLSA-N. The full InChI is InChI=1S/C29H44O/c1-22(2)12-10-15-23(3)13-8-9-14-24(4)16-11-18-29(7)19-17-27-21-25(5)20-26(6)28(27)30-29/h12-13,16,20-21H,8-11,14-15,17-19H2,1-7H3/b23-13+,24-16+.
What are the key properties of 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene?
2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene has a molecular weight of 408.67 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene is sourced from PubChem (CID 176937160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).