2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene

C33H58O2 — CID 21274630

IUPAC2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene
SMILESCCCCCCCCCCCCCCCCCCOCCC1(C)CCc2c(C)cc(C)c(C)c2O1
InChIInChI=1S/C33H58O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-26-24-33(5)23-22-31-29(3)27-28(2)30(4)32(31)35-33/h27H,6-26H2,1-5H3
InChIKeyOVKMMKYOSHCUSF-UHFFFAOYSA-N
MW486.83 g/mol
LogP10.36
Rot. Bonds20

About 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene

2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene (PubChem CID 21274630) has the molecular formula C33H58O2 and a molecular weight of 486.83 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene
PubChem CID21274630
Molecular FormulaC33H58O2
Molecular Weight486.83 g/mol
Exact Mass486.44
IUPAC Name2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene
SMILESCCCCCCCCCCCCCCCCCCOCCC1(C)CCc2c(C)cc(C)c(C)c2O1
InChIInChI=1S/C33H58O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-26-24-33(5)23-22-31-29(3)27-28(2)30(4)32(31)35-33/h27H,6-26H2,1-5H3
InChIKeyOVKMMKYOSHCUSF-UHFFFAOYSA-N
XLogP10.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene 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

2-(2-ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 142951829
2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 70347935
2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
CID 54333417
2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol
CID 59347262
3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene
CID 20660081
N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91302807
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde
CID 163276170
2-(3,4-dichlorophenyl)-7-hexadecyl-4,5,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene
CID 100921088
8-bromo-6-butoxy-2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene
CID 70849628
(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 122215527
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dodecanoate
CID 163104889

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene?
The IUPAC name of 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene (CID 21274630) is 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene is CCCCCCCCCCCCCCCCCCOCCC1(C)CCc2c(C)cc(C)c(C)c2O1.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene?
The InChIKey is OVKMMKYOSHCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-26-24-33(5)23-22-31-29(3)27-28(2)30(4)32(31)35-33/h27H,6-26H2,1-5H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene?
2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene has a molecular weight of 486.83 g/mol, XLogP of 10.36, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene is sourced from PubChem (CID 21274630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).