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

C17H28O5Si — CID 90798603

IUPACacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
SMILESCC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3Si.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2(3)4/h7-10H,11H2,1-6H3;1H3,(H,3,4)
InChIKeyQOZLOKNVEIQLFS-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.22
Rot. Bonds4

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

acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate (PubChem CID 90798603) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate.

Molecular Properties

Compound Nameacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
PubChem CID90798603
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Nameacetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
SMILESCC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3Si.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2(3)4/h7-10H,11H2,1-6H3;1H3,(H,3,4)
InChIKeyQOZLOKNVEIQLFS-UHFFFAOYSA-N
XLogP4.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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;4-ethylphenol
CID 162188158
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
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
CID 67588790
(E)-3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]phenyl]-2-methylprop-2-enoic acid
CID 139770385
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
CID 23302942

Frequently Asked Questions

What is the IUPAC name of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate?
The IUPAC name of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate (CID 90798603) is acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate.
What is the SMILES notation for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate?
The canonical SMILES for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate is CC(=O)O.CC(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate?
The InChIKey is QOZLOKNVEIQLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si.C2H4O2/c1-12(16)18-14-9-7-13(8-10-14)11-17-19(5,6)15(2,3)4;1-2(3)4/h7-10H,11H2,1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate?
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate has a molecular weight of 340.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate is sourced from PubChem (CID 90798603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).