[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane

C26H52OSi4 — CID 102574004

IUPAC[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)[C@]1([Si](C)(C)C)C=C(C23CC4CC(CC(C4)C2)C3)[Si@]1(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C26H52OSi4/c1-24(2,3)26(28(4,5)6)19-23(31(26,30(10,11)12)27-29(7,8)9)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3/t20?,21?,22?,25?,26-,31-/m0/s1
InChIKeyHEVIJGQVGRBRSB-JUBFISNXSA-N
MW493.05 g/mol
LogP8.56
Rot. Bonds5

About [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane

[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane (PubChem CID 102574004) has the molecular formula C26H52OSi4 and a molecular weight of 493.05 g/mol. Its IUPAC name is [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
PubChem CID102574004
Molecular FormulaC26H52OSi4
Molecular Weight493.05 g/mol
Exact Mass492.31
IUPAC Name[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)[C@]1([Si](C)(C)C)C=C(C23CC4CC(CC(C4)C2)C3)[Si@]1(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C26H52OSi4/c1-24(2,3)26(28(4,5)6)19-23(31(26,30(10,11)12)27-29(7,8)9)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3/t20?,21?,22?,25?,26-,31-/m0/s1
InChIKeyHEVIJGQVGRBRSB-JUBFISNXSA-N
XLogP8.56
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 ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane (CID 102574004) is [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane is CC(C)(C)[C@]1([Si](C)(C)C)C=C(C23CC4CC(CC(C4)C2)C3)[Si@]1(O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane?
The InChIKey is HEVIJGQVGRBRSB-JUBFISNXSA-N. The full InChI is InChI=1S/C26H52OSi4/c1-24(2,3)26(28(4,5)6)19-23(31(26,30(10,11)12)27-29(7,8)9)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3/t20?,21?,22?,25?,26-,31-/m0/s1.
What are the key properties of [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane?
[(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane has a molecular weight of 493.05 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-4-(1-adamantyl)-2-tert-butyl-1,2-bis(trimethylsilyl)silet-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 102574004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).