dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene

C21H24Si — CID 159596917

IUPACdimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene
SMILESC#Cc1ccc(C)cc1.Cc1ccc(C#CC[SiH](C)C)cc1
InChIInChI=1S/C12H16Si.C9H8/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-3-9-6-4-8(2)5-7-9/h6-9,13H,10H2,1-3H3;1,4-7H,2H3
InChIKeyMKYVIURLZVUYFY-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.81
Rot. Bonds1

About dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene

dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene (PubChem CID 159596917) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene.

Molecular Properties

Compound Namedimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene
PubChem CID159596917
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Namedimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene
SMILESC#Cc1ccc(C)cc1.Cc1ccc(C#CC[SiH](C)C)cc1
InChIInChI=1S/C12H16Si.C9H8/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-3-9-6-4-8(2)5-7-9/h6-9,13H,10H2,1-3H3;1,4-7H,2H3
InChIKeyMKYVIURLZVUYFY-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

lithium;buta-1,3-diene;dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;dimethyl(3-phenylprop-2-ynyl)silane
CID 157425180
1-ethynyl-4-methylbenzene;formaldehyde;methane
CID 143289915
3-(4-ethynylphenyl)prop-2-yne-1-thiol
CID 169486079
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
1-(3-ethoxyprop-1-ynyl)-4-(4-ethynylphenyl)benzene
CID 89056662
1-(3-methoxyprop-1-ynyl)-4-methylbenzene
CID 15241990
ethane;(4-ethynylphenyl)-dimethylsilane
CID 123754833
1-ethynyl-4-(4-ethynylphenyl)benzene
CID 139087486
(4-ethynylphenyl)methoxy-dimethylsilane
CID 174611884
but-3-yn-1-amine;ethanamine;ethane;methane;4-(4-methylphenyl)but-3-yn-1-amine;1,4-xylene
CID 157061840
1-ethynyl-4-[(3E)-2-methylidene-5-[(4-methylphenyl)methyl]hexa-3,5-dienyl]benzene
CID 159671138
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene?
The IUPAC name of dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene (CID 159596917) is dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene.
What is the SMILES notation for dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene?
The canonical SMILES for dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene is C#Cc1ccc(C)cc1.Cc1ccc(C#CC[SiH](C)C)cc1.
What is the InChIKey of dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene?
The InChIKey is MKYVIURLZVUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Si.C9H8/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-3-9-6-4-8(2)5-7-9/h6-9,13H,10H2,1-3H3;1,4-7H,2H3.
What are the key properties of dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene?
dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene has a molecular weight of 304.51 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(4-methylphenyl)prop-2-ynyl]silane;1-ethynyl-4-methylbenzene is sourced from PubChem (CID 159596917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).