triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane

C23H38OSi2 — CID 102237629

IUPACtriethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=CCC(C#C[Si](CC)(CC)CC)=C1COC)(CC)CC
InChIInChI=1S/C23H38OSi2/c1-8-25(9-2,10-3)18-16-21-14-15-22(23(21)20-24-7)17-19-26(11-4,12-5)13-6/h14H,8-13,15,20H2,1-7H3
InChIKeyWSUFBBLJAUGAAI-UHFFFAOYSA-N
MW386.73 g/mol
LogP6.36
Rot. Bonds8

About triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane

triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane (PubChem CID 102237629) has the molecular formula C23H38OSi2 and a molecular weight of 386.73 g/mol. Its IUPAC name is triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
PubChem CID102237629
Molecular FormulaC23H38OSi2
Molecular Weight386.73 g/mol
Exact Mass386.25
IUPAC Nametriethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=CCC(C#C[Si](CC)(CC)CC)=C1COC)(CC)CC
InChIInChI=1S/C23H38OSi2/c1-8-25(9-2,10-3)18-16-21-14-15-22(23(21)20-24-7)17-19-26(11-4,12-5)13-6/h14H,8-13,15,20H2,1-7H3
InChIKeyWSUFBBLJAUGAAI-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.36
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

[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
CID 134941908
Triethyl-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237617
Triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237618
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237621
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237623
[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane
CID 102424482
tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane
CID 102485688
[(E)-5-methoxy-3-(3-methoxyprop-1-en-2-yl)pent-3-en-1-ynyl]-trimethylsilane
CID 177459648
triethyl-[(3Z,5Z)-7-propoxy-3,4,5-tris(propoxymethyl)hepta-3,5-dien-1-ynyl]silane
CID 177612958

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane (CID 102237629) is triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane is CC[Si](C#CC1=CCC(C#C[Si](CC)(CC)CC)=C1COC)(CC)CC.
What is the InChIKey of triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The InChIKey is WSUFBBLJAUGAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi2/c1-8-25(9-2,10-3)18-16-21-14-15-22(23(21)20-24-7)17-19-26(11-4,12-5)13-6/h14H,8-13,15,20H2,1-7H3.
What are the key properties of triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane has a molecular weight of 386.73 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 102237629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).