[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane

C16H22O2Si — CID 24866923

IUPAC[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
SMILESC=CCOC(C#C[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H22O2Si/c1-6-12-18-16(11-13-19(3,4)5)14-7-9-15(17-2)10-8-14/h6-10,16H,1,12H2,2-5H3
InChIKeyOTAVIYPDLRZGFX-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.82
Rot. Bonds5

About [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane

[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane (PubChem CID 24866923) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
PubChem CID24866923
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
SMILESC=CCOC(C#C[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H22O2Si/c1-6-12-18-16(11-13-19(3,4)5)14-7-9-15(17-2)10-8-14/h6-10,16H,1,12H2,2-5H3
InChIKeyOTAVIYPDLRZGFX-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 10736177
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
(3S,4S)-3-ethenyl-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10758748
(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 10782603
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 166591836

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The IUPAC name of [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane (CID 24866923) is [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane.
What is the SMILES notation for [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The canonical SMILES for [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane is C=CCOC(C#C[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The InChIKey is OTAVIYPDLRZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-6-12-18-16(11-13-19(3,4)5)14-7-9-15(17-2)10-8-14/h6-10,16H,1,12H2,2-5H3.
What are the key properties of [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane has a molecular weight of 274.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane is sourced from PubChem (CID 24866923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).