tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane

C23H32O2Si — CID 67982731

IUPACtert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane
SMILESCCOc1cc(/C=C/Cc2ccccc2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-7-24-22-18-20(15-11-14-19-12-9-8-10-13-19)16-17-21(22)25-26(5,6)23(2,3)4/h8-13,15-18H,7,14H2,1-6H3/b15-11+
InChIKeyLVPURRGBIAWIJV-RVDMUPIBSA-N
MW368.59 g/mol
LogP6.73
Rot. Bonds7

About tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane

tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane (PubChem CID 67982731) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane
PubChem CID67982731
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Nametert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane
SMILESCCOc1cc(/C=C/Cc2ccccc2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-7-24-22-18-20(15-11-14-19-12-9-8-10-13-19)16-17-21(22)25-26(5,6)23(2,3)4/h8-13,15-18H,7,14H2,1-6H3/b15-11+
InChIKeyLVPURRGBIAWIJV-RVDMUPIBSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 89404905
tert-butyl-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 123893519
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione
CID 59028477
[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethenyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane;3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]prop-2-enoic acid
CID 160762466
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane (CID 67982731) is tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane is CCOc1cc(/C=C/Cc2ccccc2)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane?
The InChIKey is LVPURRGBIAWIJV-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-7-24-22-18-20(15-11-14-19-12-9-8-10-13-19)16-17-21(22)25-26(5,6)23(2,3)4/h8-13,15-18H,7,14H2,1-6H3/b15-11+.
What are the key properties of tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane?
tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 67982731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).