[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane

C28H58OSi5 — CID 102009318

IUPAC[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C(=C=C[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H58OSi5/c1-27(2,3)33(13,14)26(28-20-23-17-24(21-28)19-25(18-23)22-28)15-16-34(31(7,8)9,32(10,11)12)29-30(4,5)6/h16,23-25H,17-22H2,1-14H3
InChIKeyVDWJAORRDSRNIY-UHFFFAOYSA-N
MW551.20 g/mol
LogP9.50
Rot. Bonds7

About [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane

[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane (PubChem CID 102009318) has the molecular formula C28H58OSi5 and a molecular weight of 551.20 g/mol. Its IUPAC name is [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane
PubChem CID102009318
Molecular FormulaC28H58OSi5
Molecular Weight551.20 g/mol
Exact Mass550.33
IUPAC Name[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C(=C=C[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H58OSi5/c1-27(2,3)33(13,14)26(28-20-23-17-24(21-28)19-25(18-23)22-28)15-16-34(31(7,8)9,32(10,11)12)29-30(4,5)6/h16,23-25H,17-22H2,1-14H3
InChIKeyVDWJAORRDSRNIY-UHFFFAOYSA-N
XLogP9.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.20
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane?
The IUPAC name of [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane (CID 102009318) is [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)C(=C=C[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane?
The InChIKey is VDWJAORRDSRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58OSi5/c1-27(2,3)33(13,14)26(28-20-23-17-24(21-28)19-25(18-23)22-28)15-16-34(31(7,8)9,32(10,11)12)29-30(4,5)6/h16,23-25H,17-22H2,1-14H3.
What are the key properties of [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane?
[1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane has a molecular weight of 551.20 g/mol, XLogP of 9.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).