[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate

C25H26O3Si — CID 21307548

IUPAC[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
SMILESCO[Si](C)(C)COC(=O)/C=C/c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26O3Si/c1-27-29(2,3)19-28-25(26)18-11-20-9-12-22(13-10-20)24-16-14-23(15-17-24)21-7-5-4-6-8-21/h4-18H,19H2,1-3H3/b18-11+
InChIKeyRTUAPWQRQFSRAI-WOJGMQOQSA-N
MW402.57 g/mol
LogP5.97
Rot. Bonds7

About [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate

[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate (PubChem CID 21307548) has the molecular formula C25H26O3Si and a molecular weight of 402.57 g/mol. Its IUPAC name is [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
PubChem CID21307548
Molecular FormulaC25H26O3Si
Molecular Weight402.57 g/mol
Exact Mass402.17
IUPAC Name[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
SMILESCO[Si](C)(C)COC(=O)/C=C/c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26O3Si/c1-27-29(2,3)19-28-25(26)18-11-20-9-12-22(13-10-20)24-16-14-23(15-17-24)21-7-5-4-6-8-21/h4-18H,19H2,1-3H3/b18-11+
InChIKeyRTUAPWQRQFSRAI-WOJGMQOQSA-N
XLogP5.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
CID 175667784
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
trimethoxysilyl (E)-3-phenylprop-2-enoate
CID 68833858
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335

Frequently Asked Questions

What is the IUPAC name of [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate?
The IUPAC name of [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate (CID 21307548) is [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate.
What is the SMILES notation for [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate?
The canonical SMILES for [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate is CO[Si](C)(C)COC(=O)/C=C/c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate?
The InChIKey is RTUAPWQRQFSRAI-WOJGMQOQSA-N. The full InChI is InChI=1S/C25H26O3Si/c1-27-29(2,3)19-28-25(26)18-11-20-9-12-22(13-10-20)24-16-14-23(15-17-24)21-7-5-4-6-8-21/h4-18H,19H2,1-3H3/b18-11+.
What are the key properties of [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate?
[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate has a molecular weight of 402.57 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate is sourced from PubChem (CID 21307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).