bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol

C37H56O5Si2 — CID 21185148

IUPACbis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C37H56O5Si2/c1-35(2,3)43(7,8)41-28-14-26-39-33-22-18-31(19-23-33)37(38,30-16-12-11-13-17-30)32-20-24-34(25-21-32)40-27-15-29-42-44(9,10)36(4,5)6/h11-13,16-25,38H,14-15,26-29H2,1-10H3
InChIKeyVAQCFPPLYVOJBA-UHFFFAOYSA-N
MW637.02 g/mol
LogP9.55
Rot. Bonds15

About bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol

bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol (PubChem CID 21185148) has the molecular formula C37H56O5Si2 and a molecular weight of 637.02 g/mol. Its IUPAC name is bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol.

Molecular Properties

Compound Namebis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
PubChem CID21185148
Molecular FormulaC37H56O5Si2
Molecular Weight637.02 g/mol
Exact Mass636.37
IUPAC Namebis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C37H56O5Si2/c1-35(2,3)43(7,8)41-28-14-26-39-33-22-18-31(19-23-33)37(38,30-16-12-11-13-17-30)32-20-24-34(25-21-32)40-27-15-29-42-44(9,10)36(4,5)6/h11-13,16-25,38H,14-15,26-29H2,1-10H3
InChIKeyVAQCFPPLYVOJBA-UHFFFAOYSA-N
XLogP9.55
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.02
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-1-(4-decoxyphenyl)prop-2-yn-1-ol
CID 155790029
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol
CID 142479778
tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane
CID 150234227
(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol
CID 54464754
tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
CID 176655957
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
CID 102367475

Frequently Asked Questions

What is the IUPAC name of bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol?
The IUPAC name of bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol (CID 21185148) is bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol.
What is the SMILES notation for bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol?
The canonical SMILES for bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol is CC(C)(C)[Si](C)(C)OCCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol?
The InChIKey is VAQCFPPLYVOJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O5Si2/c1-35(2,3)43(7,8)41-28-14-26-39-33-22-18-31(19-23-33)37(38,30-16-12-11-13-17-30)32-20-24-34(25-21-32)40-27-15-29-42-44(9,10)36(4,5)6/h11-13,16-25,38H,14-15,26-29H2,1-10H3.
What are the key properties of bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol?
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol has a molecular weight of 637.02 g/mol, XLogP of 9.55, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol is sourced from PubChem (CID 21185148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).