2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol

C24H34O2S2 — CID 21499302

IUPAC2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol
SMILESCCc1cc(SSc2cc(CC)cc(C(C)CC)c2O)c(O)c(C(C)CC)c1
InChIInChI=1S/C24H34O2S2/c1-7-15(5)19-11-17(9-3)13-21(23(19)25)27-28-22-14-18(10-4)12-20(24(22)26)16(6)8-2/h11-16,25-26H,7-10H2,1-6H3
InChIKeyLPCHPUGHZHFOLV-UHFFFAOYSA-N
MW418.67 g/mol
LogP8.05
Rot. Bonds9

About 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol

2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol (PubChem CID 21499302) has the molecular formula C24H34O2S2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol.

Molecular Properties

Compound Name2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol
PubChem CID21499302
Molecular FormulaC24H34O2S2
Molecular Weight418.67 g/mol
Exact Mass418.20
IUPAC Name2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol
SMILESCCc1cc(SSc2cc(CC)cc(C(C)CC)c2O)c(O)c(C(C)CC)c1
InChIInChI=1S/C24H34O2S2/c1-7-15(5)19-11-17(9-3)13-21(23(19)25)27-28-22-14-18(10-4)12-20(24(22)26)16(6)8-2/h11-16,25-26H,7-10H2,1-6H3
InChIKeyLPCHPUGHZHFOLV-UHFFFAOYSA-N
XLogP8.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol?
The IUPAC name of 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol (CID 21499302) is 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol.
What is the SMILES notation for 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol?
The canonical SMILES for 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol is CCc1cc(SSc2cc(CC)cc(C(C)CC)c2O)c(O)c(C(C)CC)c1.
What is the InChIKey of 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol?
The InChIKey is LPCHPUGHZHFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S2/c1-7-15(5)19-11-17(9-3)13-21(23(19)25)27-28-22-14-18(10-4)12-20(24(22)26)16(6)8-2/h11-16,25-26H,7-10H2,1-6H3.
What are the key properties of 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol?
2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol has a molecular weight of 418.67 g/mol, XLogP of 8.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol is sourced from PubChem (CID 21499302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).