2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol

C32H52O2S2Si — CID 19103299

IUPAC2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol
SMILESCCCCc1cc(SC[Si](C)(C)CSc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O
InChIInChI=1S/C32H52O2S2Si/c1-7-11-15-25-19-29(20-26(31(25)33)16-12-8-2)35-23-37(5,6)24-36-30-21-27(17-13-9-3)32(34)28(22-30)18-14-10-4/h19-22,33-34H,7-18,23-24H2,1-6H3
InChIKeyPCJJFUKCMIIXSX-UHFFFAOYSA-N
MW560.99 g/mol
LogP10.14
Rot. Bonds18

About 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol

2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol (PubChem CID 19103299) has the molecular formula C32H52O2S2Si and a molecular weight of 560.99 g/mol. Its IUPAC name is 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol
PubChem CID19103299
Molecular FormulaC32H52O2S2Si
Molecular Weight560.99 g/mol
Exact Mass560.32
IUPAC Name2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol
SMILESCCCCc1cc(SC[Si](C)(C)CSc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O
InChIInChI=1S/C32H52O2S2Si/c1-7-11-15-25-19-29(20-26(31(25)33)16-12-8-2)35-23-37(5,6)24-36-30-21-27(17-13-9-3)32(34)28(22-30)18-14-10-4/h19-22,33-34H,7-18,23-24H2,1-6H3
InChIKeyPCJJFUKCMIIXSX-UHFFFAOYSA-N
XLogP10.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.99
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibutyl-4-(4-methylideneboranylbutylsulfanyl)phenol
CID 123719361
2-butyl-4-(3-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
CID 22325369
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-ethyl-6-propylphenol
CID 66988794
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
CID 19088165
2,4,6-triheptylphenol
CID 139692303
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
2-butyl-6-ethyl-4-pentylphenol
CID 66879170

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol?
The IUPAC name of 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol (CID 19103299) is 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol.
What is the SMILES notation for 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol?
The canonical SMILES for 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol is CCCCc1cc(SC[Si](C)(C)CSc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O.
What is the InChIKey of 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol?
The InChIKey is PCJJFUKCMIIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O2S2Si/c1-7-11-15-25-19-29(20-26(31(25)33)16-12-8-2)35-23-37(5,6)24-36-30-21-27(17-13-9-3)32(34)28(22-30)18-14-10-4/h19-22,33-34H,7-18,23-24H2,1-6H3.
What are the key properties of 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol?
2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol has a molecular weight of 560.99 g/mol, XLogP of 10.14, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol is sourced from PubChem (CID 19103299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).