2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

C28H42O — CID 175738144

IUPAC2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CC(C)c2cccc(C)c2O1
InChIInChI=1S/C28H42O/c1-21(2)12-8-13-22(3)14-9-15-23(4)16-11-19-28(7)20-25(6)26-18-10-17-24(5)27(26)29-28/h10,12,14,16-18,25H,8-9,11,13,15,19-20H2,1-7H3
InChIKeyYPMQCVNSJYKNPN-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.84
Rot. Bonds9

About 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (PubChem CID 175738144) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
PubChem CID175738144
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CC(C)c2cccc(C)c2O1
InChIInChI=1S/C28H42O/c1-21(2)12-8-13-22(3)14-9-15-23(4)16-11-19-28(7)20-25(6)26-18-10-17-24(5)27(26)29-28/h10,12,14,16-18,25H,8-9,11,13,15,19-20H2,1-7H3
InChIKeyYPMQCVNSJYKNPN-UHFFFAOYSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The IUPAC name of 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (CID 175738144) is 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.
What is the SMILES notation for 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The canonical SMILES for 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CC(C)c2cccc(C)c2O1.
What is the InChIKey of 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
The InChIKey is YPMQCVNSJYKNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-21(2)12-8-13-22(3)14-9-15-23(4)16-11-19-28(7)20-25(6)26-18-10-17-24(5)27(26)29-28/h10,12,14,16-18,25H,8-9,11,13,15,19-20H2,1-7H3.
What are the key properties of 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?
2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene has a molecular weight of 394.64 g/mol, XLogP of 8.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is sourced from PubChem (CID 175738144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).