3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane

C16H22OSi — CID 24769802

IUPAC3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
SMILESC=CCC(C#C[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H22OSi/c1-6-7-14(12-13-18(3,4)5)15-8-10-16(17-2)11-9-15/h6,8-11,14H,1,7H2,2-5H3
InChIKeyVEVCFKCHHJUJKA-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.24
Rot. Bonds4

About 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane

3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane (PubChem CID 24769802) has the molecular formula C16H22OSi and a molecular weight of 258.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
PubChem CID24769802
Molecular FormulaC16H22OSi
Molecular Weight258.44 g/mol
Exact Mass258.14
IUPAC Name3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
SMILESC=CCC(C#C[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H22OSi/c1-6-7-14(12-13-18(3,4)5)15-8-10-16(17-2)11-9-15/h6,8-11,14H,1,7H2,2-5H3
InChIKeyVEVCFKCHHJUJKA-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
CID 24866923
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
(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
(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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane?
The IUPAC name of 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane (CID 24769802) is 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane is C=CCC(C#C[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane?
The InChIKey is VEVCFKCHHJUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSi/c1-6-7-14(12-13-18(3,4)5)15-8-10-16(17-2)11-9-15/h6,8-11,14H,1,7H2,2-5H3.
What are the key properties of 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane?
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane has a molecular weight of 258.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane is sourced from PubChem (CID 24769802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).