[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane

C26H52OSi4 — CID 101405056

IUPAC[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)C1
InChIInChI=1S/C26H52OSi4/c1-20-15-26(28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,30(9,10)11)27-29(6,7)8/h22-24H,12-19H2,1-11H3/t22?,23?,24?,25?,26-,31+/m1/s1
InChIKeyRQUUBACLXZCNJS-PTADOBFSSA-N
MW493.05 g/mol
LogP8.77
Rot. Bonds5

About [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane

[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane (PubChem CID 101405056) has the molecular formula C26H52OSi4 and a molecular weight of 493.05 g/mol. Its IUPAC name is [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
PubChem CID101405056
Molecular FormulaC26H52OSi4
Molecular Weight493.05 g/mol
Exact Mass492.31
IUPAC Name[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)C1
InChIInChI=1S/C26H52OSi4/c1-20-15-26(28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,30(9,10)11)27-29(6,7)8/h22-24H,12-19H2,1-11H3/t22?,23?,24?,25?,26-,31+/m1/s1
InChIKeyRQUUBACLXZCNJS-PTADOBFSSA-N
XLogP8.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Tert-butyl-dimethyl-[(3-trimethylsilyl-2-tricyclo[3.3.1.13,7]dec-1-enyl)silyl]silane
CID 123200834
[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]-tert-butyl-dimethylsilane
CID 101129919
[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
[6-(1-Adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
CID 101392211
[1-(1-Adamantyl)-3-[bis(trimethylsilyl)-trimethylsilyloxysilyl]propa-1,2-dienyl]-tert-butyl-dimethylsilane
CID 102009318
[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
CID 102574004
[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane
CID 177476384

Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane (CID 101405056) is [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane is CC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)C1.
What is the InChIKey of [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The InChIKey is RQUUBACLXZCNJS-PTADOBFSSA-N. The full InChI is InChI=1S/C26H52OSi4/c1-20-15-26(28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,30(9,10)11)27-29(6,7)8/h22-24H,12-19H2,1-11H3/t22?,23?,24?,25?,26-,31+/m1/s1.
What are the key properties of [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
[(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane has a molecular weight of 493.05 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-(1-adamantyl)-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101405056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).