(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol

C77H142S7 — CID 88698142

IUPAC(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol
SMILESCC=CCCCCCCCCCCSC(C=CCCCCCCCC(SCC=CCCCCCC)(SCC=CCCCCCCC)SCC=CCCCCCCCCC)(SCC=CCCCCC)SC(S)/C=C\CCCCCCCCCCC
InChIInChI=1S/C77H142S7/c1-7-13-19-25-31-35-38-40-44-51-59-67-75(78)84-77(82-73-65-54-30-24-18-12-6,83-74-66-58-50-42-39-36-32-26-20-14-8-2)69-61-53-46-43-45-52-60-68-76(79-70-62-55-47-29-23-17-11-5,80-71-63-56-48-34-28-22-16-10-4)81-72-64-57-49-41-37-33-27-21-15-9-3/h8,14,54-57,59,61-65,67,69,75,78H,7,9-13,15-53,58,60,66,68,70-74H2,1-6H3/b14-8?,62-55?,63-56?,64-57?,65-54?,67-59-,69-61?
InChIKeyCHSOSAPBFRBZIK-JFWBYAACSA-N
MW1292.45 g/mol
LogP30.08
Rot. Bonds69

About (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol

(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol (PubChem CID 88698142) has the molecular formula C77H142S7 and a molecular weight of 1292.45 g/mol. Its IUPAC name is (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol.

Molecular Properties

Compound Name(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol
PubChem CID88698142
Molecular FormulaC77H142S7
Molecular Weight1292.45 g/mol
Exact Mass1290.92
IUPAC Name(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol
SMILESCC=CCCCCCCCCCCSC(C=CCCCCCCCC(SCC=CCCCCCC)(SCC=CCCCCCCC)SCC=CCCCCCCCCC)(SCC=CCCCCC)SC(S)/C=C\CCCCCCCCCCC
InChIInChI=1S/C77H142S7/c1-7-13-19-25-31-35-38-40-44-51-59-67-75(78)84-77(82-73-65-54-30-24-18-12-6,83-74-66-58-50-42-39-36-32-26-20-14-8-2)69-61-53-46-43-45-52-60-68-76(79-70-62-55-47-29-23-17-11-5,80-71-63-56-48-34-28-22-16-10-4)81-72-64-57-49-41-37-33-27-21-15-9-3/h8,14,54-57,59,61-65,67,69,75,78H,7,9-13,15-53,58,60,66,68,70-74H2,1-6H3/b14-8?,62-55?,63-56?,64-57?,65-54?,67-59-,69-61?
InChIKeyCHSOSAPBFRBZIK-JFWBYAACSA-N
XLogP30.08
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds69
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.45
LogP ≤ 530.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol?
The IUPAC name of (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol (CID 88698142) is (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol.
What is the SMILES notation for (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol?
The canonical SMILES for (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol is CC=CCCCCCCCCCCSC(C=CCCCCCCCC(SCC=CCCCCCC)(SCC=CCCCCCCC)SCC=CCCCCCCCCC)(SCC=CCCCCC)SC(S)/C=C\CCCCCCCCCCC.
What is the InChIKey of (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol?
The InChIKey is CHSOSAPBFRBZIK-JFWBYAACSA-N. The full InChI is InChI=1S/C77H142S7/c1-7-13-19-25-31-35-38-40-44-51-59-67-75(78)84-77(82-73-65-54-30-24-18-12-6,83-74-66-58-50-42-39-36-32-26-20-14-8-2)69-61-53-46-43-45-52-60-68-76(79-70-62-55-47-29-23-17-11-5,80-71-63-56-48-34-28-22-16-10-4)81-72-64-57-49-41-37-33-27-21-15-9-3/h8,14,54-57,59,61-65,67,69,75,78H,7,9-13,15-53,58,60,66,68,70-74H2,1-6H3/b14-8?,62-55?,63-56?,64-57?,65-54?,67-59-,69-61?.
What are the key properties of (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol?
(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol has a molecular weight of 1292.45 g/mol, XLogP of 30.08, 69 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol is sourced from PubChem (CID 88698142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).