(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol

C16H27NO2Si — CID 178189825

IUPAC(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)c(/C=C/CO)c1
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-12-13-8-9-15(17)14(11-13)7-6-10-18/h6-9,11,18H,10,12,17H2,1-5H3/b7-6+
InChIKeyUEYPQNZEGQLPGF-VOTSOKGWSA-N
MW293.48 g/mol
LogP3.80
Rot. Bonds5

About (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol

(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol (PubChem CID 178189825) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol
PubChem CID178189825
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)c(/C=C/CO)c1
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-12-13-8-9-15(17)14(11-13)7-6-10-18/h6-9,11,18H,10,12,17H2,1-5H3/b7-6+
InChIKeyUEYPQNZEGQLPGF-VOTSOKGWSA-N
XLogP3.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
CID 174032298
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol (CID 178189825) is (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol is CC(C)(C)[Si](C)(C)OCc1ccc(N)c(/C=C/CO)c1.
What is the InChIKey of (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol?
The InChIKey is UEYPQNZEGQLPGF-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-12-13-8-9-15(17)14(11-13)7-6-10-18/h6-9,11,18H,10,12,17H2,1-5H3/b7-6+.
What are the key properties of (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol?
(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 178189825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).