2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol

C106H156O6S6 — CID 161422258

IUPAC2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol
SMILESC/C=C\Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C/C=C\C)c2O)c1O.C=CCc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(CC=C)c2O)c1O.Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C)c2O)c1O
InChIInChI=1S/C38H56O2S2.C36H52O2S2.C32H48O2S2/c1-9-11-17-27-21-31(37(3,4)5)23-29(35(27)39)25-41-33-19-15-13-14-16-20-34(33)42-26-30-24-32(38(6,7)8)22-28(36(30)40)18-12-10-2;1-9-15-25-19-29(35(3,4)5)21-27(33(25)37)23-39-31-17-13-11-12-14-18-32(31)40-24-28-22-30(36(6,7)8)20-26(16-10-2)34(28)38;1-21-15-25(31(3,4)5)17-23(29(21)33)19-35-27-13-11-9-10-12-14-28(27)36-20-24-18-26(32(6,7)8)16-22(2)30(24)34/h9-12,21-24,33-34,39-40H,13-20,25-26H2,1-8H3;9-10,19-22,31-32,37-38H,1-2,11-18,23-24H2,3-8H3;15-18,27-28,33-34H,9-14,19-20H2,1-8H3/b11-9-,12-10-;;
InChIKeyVWWUNAHIPSUJMY-OPIPZQGHSA-N
MW1718.81 g/mol
LogP31.16
Rot. Bonds26

About 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol

2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol (PubChem CID 161422258) has the molecular formula C106H156O6S6 and a molecular weight of 1718.81 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol
PubChem CID161422258
Molecular FormulaC106H156O6S6
Molecular Weight1718.81 g/mol
Exact Mass1717.02
IUPAC Name2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol
SMILESC/C=C\Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C/C=C\C)c2O)c1O.C=CCc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(CC=C)c2O)c1O.Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C)c2O)c1O
InChIInChI=1S/C38H56O2S2.C36H52O2S2.C32H48O2S2/c1-9-11-17-27-21-31(37(3,4)5)23-29(35(27)39)25-41-33-19-15-13-14-16-20-34(33)42-26-30-24-32(38(6,7)8)22-28(36(30)40)18-12-10-2;1-9-15-25-19-29(35(3,4)5)21-27(33(25)37)23-39-31-17-13-11-12-14-18-32(31)40-24-28-22-30(36(6,7)8)20-26(16-10-2)34(28)38;1-21-15-25(31(3,4)5)17-23(29(21)33)19-35-27-13-11-9-10-12-14-28(27)36-20-24-18-26(32(6,7)8)16-22(2)30(24)34/h9-12,21-24,33-34,39-40H,13-20,25-26H2,1-8H3;9-10,19-22,31-32,37-38H,1-2,11-18,23-24H2,3-8H3;15-18,27-28,33-34H,9-14,19-20H2,1-8H3/b11-9-,12-10-;;
InChIKeyVWWUNAHIPSUJMY-OPIPZQGHSA-N
XLogP31.16
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.81
LogP ≤ 531.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol (CID 161422258) is 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol is C/C=C\Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C/C=C\C)c2O)c1O.C=CCc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(CC=C)c2O)c1O.Cc1cc(C(C)(C)C)cc(CSC2CCCCCCC2SCc2cc(C(C)(C)C)cc(C)c2O)c1O.
What is the InChIKey of 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol?
The InChIKey is VWWUNAHIPSUJMY-OPIPZQGHSA-N. The full InChI is InChI=1S/C38H56O2S2.C36H52O2S2.C32H48O2S2/c1-9-11-17-27-21-31(37(3,4)5)23-29(35(27)39)25-41-33-19-15-13-14-16-20-34(33)42-26-30-24-32(38(6,7)8)22-28(36(30)40)18-12-10-2;1-9-15-25-19-29(35(3,4)5)21-27(33(25)37)23-39-31-17-13-11-12-14-18-32(31)40-24-28-22-30(36(6,7)8)20-26(16-10-2)34(28)38;1-21-15-25(31(3,4)5)17-23(29(21)33)19-35-27-13-11-9-10-12-14-28(27)36-20-24-18-26(32(6,7)8)16-22(2)30(24)34/h9-12,21-24,33-34,39-40H,13-20,25-26H2,1-8H3;9-10,19-22,31-32,37-38H,1-2,11-18,23-24H2,3-8H3;15-18,27-28,33-34H,9-14,19-20H2,1-8H3/b11-9-,12-10-;;.
What are the key properties of 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol?
2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol has a molecular weight of 1718.81 g/mol, XLogP of 31.16, 26 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 161422258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).