2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol

C45H62O5Si — CID 19825331

IUPAC2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCCOCCC(CCOCCCc2ccc(C(C)(C)O)cc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C45H62O5Si/c1-43(2,3)51(41-18-10-8-11-19-41,42-20-12-9-13-21-42)50-40(30-34-48-32-14-16-36-22-26-38(27-23-36)44(4,5)46)31-35-49-33-15-17-37-24-28-39(29-25-37)45(6,7)47/h8-13,18-29,40,46-47H,14-17,30-35H2,1-7H3
InChIKeyTURFSEPJGLCPMA-UHFFFAOYSA-N
MW711.07 g/mol
LogP8.47
Rot. Bonds20

About 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol

2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol (PubChem CID 19825331) has the molecular formula C45H62O5Si and a molecular weight of 711.07 g/mol. Its IUPAC name is 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol
PubChem CID19825331
Molecular FormulaC45H62O5Si
Molecular Weight711.07 g/mol
Exact Mass710.44
IUPAC Name2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCCOCCC(CCOCCCc2ccc(C(C)(C)O)cc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C45H62O5Si/c1-43(2,3)51(41-18-10-8-11-19-41,42-20-12-9-13-21-42)50-40(30-34-48-32-14-16-36-22-26-38(27-23-36)44(4,5)46)31-35-49-33-15-17-37-24-28-39(29-25-37)45(6,7)47/h8-13,18-29,40,46-47H,14-17,30-35H2,1-7H3
InChIKeyTURFSEPJGLCPMA-UHFFFAOYSA-N
XLogP8.47
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.07
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol (CID 19825331) is 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(CCCOCCC(CCOCCCc2ccc(C(C)(C)O)cc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol?
The InChIKey is TURFSEPJGLCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62O5Si/c1-43(2,3)51(41-18-10-8-11-19-41,42-20-12-9-13-21-42)50-40(30-34-48-32-14-16-36-22-26-38(27-23-36)44(4,5)46)31-35-49-33-15-17-37-24-28-39(29-25-37)45(6,7)47/h8-13,18-29,40,46-47H,14-17,30-35H2,1-7H3.
What are the key properties of 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol?
2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol has a molecular weight of 711.07 g/mol, XLogP of 8.47, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol is sourced from PubChem (CID 19825331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).