trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane

C22H30O3Si — CID 134983521

IUPACtrimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane
SMILESC=C1C(OC(C)C)=C(OC(C)C)C1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C22H30O3Si/c1-16(2)23-20-18(5)22(25-26(6,7)8,21(20)24-17(3)4)15-14-19-12-10-9-11-13-19/h9-13,16-17H,5H2,1-4,6-8H3
InChIKeyJWVRZCRXSKWTQW-UHFFFAOYSA-N
MW370.57 g/mol
LogP5.26
Rot. Bonds6

About trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane

trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane (PubChem CID 134983521) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane
PubChem CID134983521
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Nametrimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane
SMILESC=C1C(OC(C)C)=C(OC(C)C)C1(C#Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C22H30O3Si/c1-16(2)23-20-18(5)22(25-26(6,7)8,21(20)24-17(3)4)15-14-19-12-10-9-11-13-19/h9-13,16-17H,5H2,1-4,6-8H3
InChIKeyJWVRZCRXSKWTQW-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
(1S,6R)-8-(2-phenylethynyl)-8-trimethylsilyloxybicyclo[4.2.0]octan-7-one
CID 134922183
2-phenylethynyl-tri(propan-2-yloxy)silane
CID 18410636
4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134887180
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
lithium 2-phenylethynyl-tri(propan-2-yloxy)boranuide
CID 23665678
1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 14116413
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
[(3S)-3-bromobut-1-ynyl]benzene
CID 99864815
9-butoxy-9-(2-phenylethynyl)fluorene
CID 153436010

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane?
The IUPAC name of trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane (CID 134983521) is trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane?
The canonical SMILES for trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane is C=C1C(OC(C)C)=C(OC(C)C)C1(C#Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane?
The InChIKey is JWVRZCRXSKWTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-16(2)23-20-18(5)22(25-26(6,7)8,21(20)24-17(3)4)15-14-19-12-10-9-11-13-19/h9-13,16-17H,5H2,1-4,6-8H3.
What are the key properties of trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane?
trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane has a molecular weight of 370.57 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane is sourced from PubChem (CID 134983521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).