2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane

C30H60OSi6 — CID 11490385

IUPAC2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=C([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)OC1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C30H60OSi6/c1-32(2,3)17-16-27-28(33(4,5)6)37(35(10,11)12,36(13,14)15)31-30(27,34(7,8)9)29-21-24-18-25(22-29)20-26(19-24)23-29/h24-26H,18-23H2,1-15H3
InChIKeyGJJPJHLIGXLZAY-UHFFFAOYSA-N
MW605.33 g/mol
LogP9.22
Rot. Bonds5

About 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane

2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane (PubChem CID 11490385) has the molecular formula C30H60OSi6 and a molecular weight of 605.33 g/mol. Its IUPAC name is 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane
PubChem CID11490385
Molecular FormulaC30H60OSi6
Molecular Weight605.33 g/mol
Exact Mass604.33
IUPAC Name2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=C([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)OC1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C30H60OSi6/c1-32(2,3)17-16-27-28(33(4,5)6)37(35(10,11)12,36(13,14)15)31-30(27,34(7,8)9)29-21-24-18-25(22-29)20-26(19-24)23-29/h24-26H,18-23H2,1-15H3
InChIKeyGJJPJHLIGXLZAY-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.33
LogP ≤ 59.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane (CID 11490385) is 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#CC1=C([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)OC1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C.
What is the InChIKey of 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane?
The InChIKey is GJJPJHLIGXLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60OSi6/c1-32(2,3)17-16-27-28(33(4,5)6)37(35(10,11)12,36(13,14)15)31-30(27,34(7,8)9)29-21-24-18-25(22-29)20-26(19-24)23-29/h24-26H,18-23H2,1-15H3.
What are the key properties of 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane?
2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane has a molecular weight of 605.33 g/mol, XLogP of 9.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantyl)-2,2,3,5-tetrakis(trimethylsilyl)oxasilol-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11490385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).