[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol

C34H46O2Si — CID 54559685

IUPAC[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
SMILESCCCCCCCCC(C=Cc1cccc(CO)c1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H46O2Si/c1-5-6-7-8-9-12-20-31(26-25-29-18-17-19-30(27-29)28-35)36-37(34(2,3)4,32-21-13-10-14-22-32)33-23-15-11-16-24-33/h10-11,13-19,21-27,31,35H,5-9,12,20,28H2,1-4H3
InChIKeyZPQXLMUPLCNKFS-UHFFFAOYSA-N
MW514.83 g/mol
LogP7.89
Rot. Bonds14

About [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol

[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol (PubChem CID 54559685) has the molecular formula C34H46O2Si and a molecular weight of 514.83 g/mol. Its IUPAC name is [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
PubChem CID54559685
Molecular FormulaC34H46O2Si
Molecular Weight514.83 g/mol
Exact Mass514.33
IUPAC Name[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
SMILESCCCCCCCCC(C=Cc1cccc(CO)c1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H46O2Si/c1-5-6-7-8-9-12-20-31(26-25-29-18-17-19-30(27-29)28-35)36-37(34(2,3)4,32-21-13-10-14-22-32)33-23-15-11-16-24-33/h10-11,13-19,21-27,31,35H,5-9,12,20,28H2,1-4H3
InChIKeyZPQXLMUPLCNKFS-UHFFFAOYSA-N
XLogP7.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.83
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
[(1E,3E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15661772
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
CID 101358762
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261

Frequently Asked Questions

What is the IUPAC name of [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol?
The IUPAC name of [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol (CID 54559685) is [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol?
The canonical SMILES for [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol is CCCCCCCCC(C=Cc1cccc(CO)c1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol?
The InChIKey is ZPQXLMUPLCNKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2Si/c1-5-6-7-8-9-12-20-31(26-25-29-18-17-19-30(27-29)28-35)36-37(34(2,3)4,32-21-13-10-14-22-32)33-23-15-11-16-24-33/h10-11,13-19,21-27,31,35H,5-9,12,20,28H2,1-4H3.
What are the key properties of [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol?
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol has a molecular weight of 514.83 g/mol, XLogP of 7.89, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol is sourced from PubChem (CID 54559685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).