4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol

C26H30O2Si — CID 72713425

IUPAC4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(O)cc1
InChIInChI=1S/C26H30O2Si/c1-21(19-22-15-17-23(27)18-16-22)20-28-29(26(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,27H,1,19-20H2,2-4H3
InChIKeyKNBNKCRQSUHPTA-UHFFFAOYSA-N
MW402.61 g/mol
LogP5.07
Rot. Bonds7

About 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol

4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol (PubChem CID 72713425) has the molecular formula C26H30O2Si and a molecular weight of 402.61 g/mol. Its IUPAC name is 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol.

Molecular Properties

Compound Name4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
PubChem CID72713425
Molecular FormulaC26H30O2Si
Molecular Weight402.61 g/mol
Exact Mass402.20
IUPAC Name4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(O)cc1
InChIInChI=1S/C26H30O2Si/c1-21(19-22-15-17-23(27)18-16-22)20-28-29(26(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,27H,1,19-20H2,2-4H3
InChIKeyKNBNKCRQSUHPTA-UHFFFAOYSA-N
XLogP5.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.61
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
CID 72711968
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
(2S,4S,5S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-2-methyl-1-phenylmethoxyoct-7-en-4-ol
CID 102089644
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol?
The IUPAC name of 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol (CID 72713425) is 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol.
What is the SMILES notation for 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol?
The canonical SMILES for 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol?
The InChIKey is KNBNKCRQSUHPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2Si/c1-21(19-22-15-17-23(27)18-16-22)20-28-29(26(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,27H,1,19-20H2,2-4H3.
What are the key properties of 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol?
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol has a molecular weight of 402.61 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol is sourced from PubChem (CID 72713425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).