(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid

C20H33NO4Si — CID 18363085

IUPAC(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid
SMILESCN(C)CC(COc1ccc(/C=C/C(=O)O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-18(14-21(4)5)15-24-17-11-8-16(9-12-17)10-13-19(22)23/h8-13,18H,14-15H2,1-7H3,(H,22,23)/b13-10+
InChIKeyIZIJBKZNJASSBO-JLHYYAGUSA-N
MW379.57 g/mol
LogP4.12
Rot. Bonds9

About (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid

(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid (PubChem CID 18363085) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid
PubChem CID18363085
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Name(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid
SMILESCN(C)CC(COc1ccc(/C=C/C(=O)O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-18(14-21(4)5)15-24-17-11-8-16(9-12-17)10-13-19(22)23/h8-13,18H,14-15H2,1-7H3,(H,22,23)/b13-10+
InChIKeyIZIJBKZNJASSBO-JLHYYAGUSA-N
XLogP4.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butoxy]phenyl]phenyl]prop-2-enoic acid
CID 150685217
3-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76940124
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172
(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 29017813
3-[4-(3,5,5-trimethylhexoxy)phenyl]prop-2-enoic acid
CID 67256167
3-[4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 53395726
(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97305645
3-[4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76905164
[4-[(E)-3-[3-(dimethylamino)propoxy]-3-oxoprop-1-enyl]phenyl] 4-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]butanoate
CID 168740856
(E)-3-[4-(2,4,4-trimethylpentan-2-yloxy)phenyl]prop-2-enoic acid
CID 144989112
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid (CID 18363085) is (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid is CN(C)CC(COc1ccc(/C=C/C(=O)O)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid?
The InChIKey is IZIJBKZNJASSBO-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-18(14-21(4)5)15-24-17-11-8-16(9-12-17)10-13-19(22)23/h8-13,18H,14-15H2,1-7H3,(H,22,23)/b13-10+.
What are the key properties of (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid?
(E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid has a molecular weight of 379.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)propoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 18363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).