[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene

C22H30O2S2 — CID 14612801

IUPAC[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
SMILESCC(C)OC(CSSCC(OC(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2S2/c1-17(2)23-21(19-11-7-5-8-12-19)15-25-26-16-22(24-18(3)4)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3
InChIKeyAXIOFIVRHYWYQF-UHFFFAOYSA-N
MW390.61 g/mol
LogP6.70
Rot. Bonds11

About [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene

[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene (PubChem CID 14612801) has the molecular formula C22H30O2S2 and a molecular weight of 390.61 g/mol. Its IUPAC name is [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene.

Molecular Properties

Compound Name[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
PubChem CID14612801
Molecular FormulaC22H30O2S2
Molecular Weight390.61 g/mol
Exact Mass390.17
IUPAC Name[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
SMILESCC(C)OC(CSSCC(OC(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2S2/c1-17(2)23-21(19-11-7-5-8-12-19)15-25-26-16-22(24-18(3)4)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3
InChIKeyAXIOFIVRHYWYQF-UHFFFAOYSA-N
XLogP6.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
CID 67420048
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
(2-methyl-1-propan-2-yloxyhexyl)benzene
CID 118530861
ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
CID 132550748
(2-cyclopenta-1,4-dien-1-yl-1-propan-2-yloxyethyl)benzene;titanium(3+);dichloride
CID 87977857
1-(1-phenylpropoxy)ethanethiol
CID 126486623
3-propan-2-yloxyhex-5-en-2-ylbenzene
CID 46868302
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498

Frequently Asked Questions

What is the IUPAC name of [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene?
The IUPAC name of [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene (CID 14612801) is [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene.
What is the SMILES notation for [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene?
The canonical SMILES for [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene is CC(C)OC(CSSCC(OC(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene?
The InChIKey is AXIOFIVRHYWYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2S2/c1-17(2)23-21(19-11-7-5-8-12-19)15-25-26-16-22(24-18(3)4)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3.
What are the key properties of [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene?
[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene has a molecular weight of 390.61 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene is sourced from PubChem (CID 14612801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).