ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate

C19H32O4Si — CID 67588790

IUPACethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-8-17(18(20)21-9-2)23-16-12-10-15(11-13-16)14-22-24(6,7)19(3,4)5/h10-13,17H,8-9,14H2,1-7H3
InChIKeyYDUGLXREIWAABE-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.93
Rot. Bonds8

About ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate

ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate (PubChem CID 67588790) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
PubChem CID67588790
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Nameethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-8-17(18(20)21-9-2)23-16-12-10-15(11-13-16)14-22-24(6,7)19(3,4)5/h10-13,17H,8-9,14H2,1-7H3
InChIKeyYDUGLXREIWAABE-UHFFFAOYSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl (Z)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
CID 68995900
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
CID 68995901
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
benzyl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672716
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate?
The IUPAC name of ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate (CID 67588790) is ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate?
The canonical SMILES for ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate is CCOC(=O)C(CC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate?
The InChIKey is YDUGLXREIWAABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-8-17(18(20)21-9-2)23-16-12-10-15(11-13-16)14-22-24(6,7)19(3,4)5/h10-13,17H,8-9,14H2,1-7H3.
What are the key properties of ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate?
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate has a molecular weight of 352.55 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate is sourced from PubChem (CID 67588790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).