4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate

C70H66F6O20S4-4 — CID 161481693

IUPAC4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate
SMILESC=Cc1ccc(OC(F)(F)C(F)(F)C(F)(F)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1
InChIInChI=1S/C19H22O5S.C18H20O5S.C17H12F6O5S.C16H16O5S/c1-2-16-6-8-17(9-7-16)23-14-4-3-5-15-24-18-10-12-19(13-11-18)25(20,21)22;1-2-15-5-7-16(8-6-15)22-13-3-4-14-23-17-9-11-18(12-10-17)24(19,20)21;1-2-11-3-5-12(6-4-11)27-16(20,21)15(18,19)17(22,23)28-13-7-9-14(10-8-13)29(24,25)26;1-2-13-3-5-14(6-4-13)20-11-12-21-15-7-9-16(10-8-15)22(17,18)19/h2,6-13H,1,3-5,14-15H2,(H,20,21,22);2,5-12H,1,3-4,13-14H2,(H,19,20,21);2-10H,1H2,(H,24,25,26);2-10H,1,11-12H2,(H,17,18,19)/p-4
InChIKeyWELDKJIGIKMGKW-UHFFFAOYSA-J
MW1469.53 g/mol
LogP14.54
Rot. Bonds34

About 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate

4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate (PubChem CID 161481693) has the molecular formula C70H66F6O20S4-4 and a molecular weight of 1469.53 g/mol. Its IUPAC name is 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate.

Molecular Properties

Compound Name4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate
PubChem CID161481693
Molecular FormulaC70H66F6O20S4-4
Molecular Weight1469.53 g/mol
Exact Mass1468.30
IUPAC Name4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate
SMILESC=Cc1ccc(OC(F)(F)C(F)(F)C(F)(F)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1
InChIInChI=1S/C19H22O5S.C18H20O5S.C17H12F6O5S.C16H16O5S/c1-2-16-6-8-17(9-7-16)23-14-4-3-5-15-24-18-10-12-19(13-11-18)25(20,21)22;1-2-15-5-7-16(8-6-15)22-13-3-4-14-23-17-9-11-18(12-10-17)24(19,20)21;1-2-11-3-5-12(6-4-11)27-16(20,21)15(18,19)17(22,23)28-13-7-9-14(10-8-13)29(24,25)26;1-2-13-3-5-14(6-4-13)20-11-12-21-15-7-9-16(10-8-15)22(17,18)19/h2,6-13H,1,3-5,14-15H2,(H,20,21,22);2,5-12H,1,3-4,13-14H2,(H,19,20,21);2-10H,1H2,(H,24,25,26);2-10H,1,11-12H2,(H,17,18,19)/p-4
InChIKeyWELDKJIGIKMGKW-UHFFFAOYSA-J
XLogP14.54
TPSA302.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.53
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate with MolForge

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Related Compounds

4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonic acid
CID 89483805
disodium;4-[10-(4-sulfonatophenoxy)decoxy]benzenesulfonate
CID 160574785
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
3-[2-(4-ethenylphenoxy)ethoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 140648661
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
CID 171042002
sodium 4-undecoxybenzenesulfonate
CID 139816425
3-[2-(4-ethenylphenoxy)ethoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 123197637
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725
aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate?
The IUPAC name of 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate (CID 161481693) is 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate.
What is the SMILES notation for 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate?
The canonical SMILES for 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate is C=Cc1ccc(OC(F)(F)C(F)(F)C(F)(F)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate?
The InChIKey is WELDKJIGIKMGKW-UHFFFAOYSA-J. The full InChI is InChI=1S/C19H22O5S.C18H20O5S.C17H12F6O5S.C16H16O5S/c1-2-16-6-8-17(9-7-16)23-14-4-3-5-15-24-18-10-12-19(13-11-18)25(20,21)22;1-2-15-5-7-16(8-6-15)22-13-3-4-14-23-17-9-11-18(12-10-17)24(19,20)21;1-2-11-3-5-12(6-4-11)27-16(20,21)15(18,19)17(22,23)28-13-7-9-14(10-8-13)29(24,25)26;1-2-13-3-5-14(6-4-13)20-11-12-21-15-7-9-16(10-8-15)22(17,18)19/h2,6-13H,1,3-5,14-15H2,(H,20,21,22);2,5-12H,1,3-4,13-14H2,(H,19,20,21);2-10H,1H2,(H,24,25,26);2-10H,1,11-12H2,(H,17,18,19)/p-4.
What are the key properties of 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate?
4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate has a molecular weight of 1469.53 g/mol, XLogP of 14.54, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylphenoxy)butoxy]benzenesulfonate;4-[2-(4-ethenylphenoxy)ethoxy]benzenesulfonate;4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonate;4-[5-(4-ethenylphenoxy)pentoxy]benzenesulfonate is sourced from PubChem (CID 161481693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).