[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane

C33H62OSi3 — CID 101129919

IUPAC[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1=C(C(C)(C)C)[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)C1=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H62OSi3/c1-30(2,3)27-28(26-24-18-22-17-23(20-24)21-25(26)19-22)37(29(27)31(4,5)6,36(15,16)33(10,11)12)34-35(13,14)32(7,8)9/h22-25H,17-21H2,1-16H3/b28-26-
InChIKeyUMIPUEDDXGLWDZ-SGEDCAFJSA-N
MW559.12 g/mol
LogP10.77
Rot. Bonds3

About [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane

[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane (PubChem CID 101129919) has the molecular formula C33H62OSi3 and a molecular weight of 559.12 g/mol. Its IUPAC name is [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane
PubChem CID101129919
Molecular FormulaC33H62OSi3
Molecular Weight559.12 g/mol
Exact Mass558.41
IUPAC Name[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1=C(C(C)(C)C)[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)C1=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H62OSi3/c1-30(2,3)27-28(26-24-18-22-17-23(20-24)21-25(26)19-22)37(29(27)31(4,5)6,36(15,16)33(10,11)12)34-35(13,14)32(7,8)9/h22-25H,17-21H2,1-16H3/b28-26-
InChIKeyUMIPUEDDXGLWDZ-SGEDCAFJSA-N
XLogP10.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.12
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-(1-adamantyl)-4-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
CID 102574005
[2-(1-Adamantyl)-4-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
CID 101060050
[2-(1-Adamantyl)-1,2,3,4-tetrakis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
CID 101080433
[2-(2-Adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane
CID 101236890
[3,4-Bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane
CID 101247962
[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
CID 101405056
[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
CID 102574004

Frequently Asked Questions

What is the IUPAC name of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane (CID 101129919) is [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane is CC(C)(C)C1=C(C(C)(C)C)[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)C1=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane?
The InChIKey is UMIPUEDDXGLWDZ-SGEDCAFJSA-N. The full InChI is InChI=1S/C33H62OSi3/c1-30(2,3)27-28(26-24-18-22-17-23(20-24)21-25(26)19-22)37(29(27)31(4,5)6,36(15,16)33(10,11)12)34-35(13,14)32(7,8)9/h22-25H,17-21H2,1-16H3/b28-26-.
What are the key properties of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane?
[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane has a molecular weight of 559.12 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101129919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).