acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol

C25H38O6Si — CID 162188158

IUPACacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol
SMILESCC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(O)cc1
InChIInChI=1S/C15H24O3Si.C8H10O.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2(3)4/h7-10H,11H2,1-6H3;3-6,9H,2H2,1H3;1H3,(H,3,4)
InChIKeyUJFBDWRUNUHZRD-UHFFFAOYSA-N
MW462.66 g/mol
LogP6.18
Rot. Bonds5

About acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol

acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol (PubChem CID 162188158) has the molecular formula C25H38O6Si and a molecular weight of 462.66 g/mol. Its IUPAC name is acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol.

Molecular Properties

Compound Nameacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol
PubChem CID162188158
Molecular FormulaC25H38O6Si
Molecular Weight462.66 g/mol
Exact Mass462.24
IUPAC Nameacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol
SMILESCC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(O)cc1
InChIInChI=1S/C15H24O3Si.C8H10O.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2(3)4/h7-10H,11H2,1-6H3;3-6,9H,2H2,1H3;1H3,(H,3,4)
InChIKeyUJFBDWRUNUHZRD-UHFFFAOYSA-N
XLogP6.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
acetic acid;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;[4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]phenyl] acetate;[4-(hydroxymethyl)phenyl] acetate;methane
CID 160510230
[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
CID 4188126
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
CID 67588790
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711

Frequently Asked Questions

What is the IUPAC name of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol?
The IUPAC name of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol (CID 162188158) is acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol.
What is the SMILES notation for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol?
The canonical SMILES for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol is CC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(O)cc1.
What is the InChIKey of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol?
The InChIKey is UJFBDWRUNUHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si.C8H10O.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2(3)4/h7-10H,11H2,1-6H3;3-6,9H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol?
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol has a molecular weight of 462.66 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol is sourced from PubChem (CID 162188158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).