1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene

C18H18O2S2 — CID 22556356

IUPAC1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
SMILESC=CCOc1ccc(SSc2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C18H18O2S2/c1-3-13-19-15-5-9-17(10-6-15)21-22-18-11-7-16(8-12-18)20-14-4-2/h3-12H,1-2,13-14H2
InChIKeyWXSZSGBZOBYSQF-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.62
Rot. Bonds9

About 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene

1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene (PubChem CID 22556356) has the molecular formula C18H18O2S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
PubChem CID22556356
Molecular FormulaC18H18O2S2
Molecular Weight330.47 g/mol
Exact Mass330.07
IUPAC Name1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
SMILESC=CCOc1ccc(SSc2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C18H18O2S2/c1-3-13-19-15-5-9-17(10-6-15)21-22-18-11-7-16(8-12-18)20-14-4-2/h3-12H,1-2,13-14H2
InChIKeyWXSZSGBZOBYSQF-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
1-nitro-4-(4-prop-2-enoxyphenyl)sulfanylbenzene
CID 90378892
CID 174846151
CID 174846151
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene?
The IUPAC name of 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene (CID 22556356) is 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene?
The canonical SMILES for 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene is C=CCOc1ccc(SSc2ccc(OCC=C)cc2)cc1.
What is the InChIKey of 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene?
The InChIKey is WXSZSGBZOBYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S2/c1-3-13-19-15-5-9-17(10-6-15)21-22-18-11-7-16(8-12-18)20-14-4-2/h3-12H,1-2,13-14H2.
What are the key properties of 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene?
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene has a molecular weight of 330.47 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene is sourced from PubChem (CID 22556356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).