2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol

C55H116O10Si10 — CID 87721854

IUPAC2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCc1cc(C(C)(C)c2ccc(O)cc2CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC)ccc1O)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C55H116O10Si10/c1-25-29-41-66(7,8)58-70(15,16)62-74(23,63-71(17,18)59-67(9,10)42-30-26-2)45-33-35-49-48-52(56)38-39-53(49)55(5,6)51-37-40-54(57)50(47-51)36-34-46-75(24,64-72(19,20)60-68(11,12)43-31-27-3)65-73(21,22)61-69(13,14)44-32-28-4/h37-40,47-48,56-57H,25-36,41-46H2,1-24H3
InChIKeyGYRGPJAZIDEXRZ-UHFFFAOYSA-N
MW1218.38 g/mol
LogP18.39
Rot. Bonds38

About 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol

2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol (PubChem CID 87721854) has the molecular formula C55H116O10Si10 and a molecular weight of 1218.38 g/mol. Its IUPAC name is 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol
PubChem CID87721854
Molecular FormulaC55H116O10Si10
Molecular Weight1218.38 g/mol
Exact Mass1216.63
IUPAC Name2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCc1cc(C(C)(C)c2ccc(O)cc2CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC)ccc1O)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C55H116O10Si10/c1-25-29-41-66(7,8)58-70(15,16)62-74(23,63-71(17,18)59-67(9,10)42-30-26-2)45-33-35-49-48-52(56)38-39-53(49)55(5,6)51-37-40-54(57)50(47-51)36-34-46-75(24,64-72(19,20)60-68(11,12)43-31-27-3)65-73(21,22)61-69(13,14)44-32-28-4/h37-40,47-48,56-57H,25-36,41-46H2,1-24H3
InChIKeyGYRGPJAZIDEXRZ-UHFFFAOYSA-N
XLogP18.39
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds38
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.38
LogP ≤ 518.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol?
The IUPAC name of 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol (CID 87721854) is 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol?
The canonical SMILES for 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCc1cc(C(C)(C)c2ccc(O)cc2CCC[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC)ccc1O)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol?
The InChIKey is GYRGPJAZIDEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H116O10Si10/c1-25-29-41-66(7,8)58-70(15,16)62-74(23,63-71(17,18)59-67(9,10)42-30-26-2)45-33-35-49-48-52(56)38-39-53(49)55(5,6)51-37-40-54(57)50(47-51)36-34-46-75(24,64-72(19,20)60-68(11,12)43-31-27-3)65-73(21,22)61-69(13,14)44-32-28-4/h37-40,47-48,56-57H,25-36,41-46H2,1-24H3.
What are the key properties of 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol?
2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol has a molecular weight of 1218.38 g/mol, XLogP of 18.39, 38 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol is sourced from PubChem (CID 87721854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).