[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane

C16H22OSi — CID 72711000

IUPAC[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane
SMILESCOc1ccc(C(C#C[Si](C)(C)C)=C(C)C)cc1
InChIInChI=1S/C16H22OSi/c1-13(2)16(11-12-18(4,5)6)14-7-9-15(17-3)10-8-14/h7-10H,1-6H3
InChIKeyYRHXVRNMXMLTNO-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.37
Rot. Bonds2

About [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane

[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane (PubChem CID 72711000) has the molecular formula C16H22OSi and a molecular weight of 258.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane
PubChem CID72711000
Molecular FormulaC16H22OSi
Molecular Weight258.44 g/mol
Exact Mass258.14
IUPAC Name[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane
SMILESCOc1ccc(C(C#C[Si](C)(C)C)=C(C)C)cc1
InChIInChI=1S/C16H22OSi/c1-13(2)16(11-12-18(4,5)6)14-7-9-15(17-3)10-8-14/h7-10H,1-6H3
InChIKeyYRHXVRNMXMLTNO-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10486679
CID 10486679
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
CID 12968057
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
CID 12714057
CID 12714057
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
(E)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)ethanimine
CID 134988572
methyl 4-(3-trimethylsilylprop-2-ynoyl)benzoate
CID 165344441
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane (CID 72711000) is [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane is COc1ccc(C(C#C[Si](C)(C)C)=C(C)C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is YRHXVRNMXMLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSi/c1-13(2)16(11-12-18(4,5)6)14-7-9-15(17-3)10-8-14/h7-10H,1-6H3.
What are the key properties of [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane?
[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 258.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 72711000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).