[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane

C36H72OSi6 — CID 139096792

IUPAC[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC1=C([Si](C)(C)C(C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)O[C@]1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C36H72OSi6/c1-33(2,3)41(16,17)21-20-31-32(42(18,19)34(4,5)6)43(39(10,11)12,40(13,14)15)37-36(31,38(7,8)9)35-25-28-22-29(26-35)24-30(23-28)27-35/h28-30H,22-27H2,1-19H3/t28?,29?,30?,35?,36-/m0/s1
InChIKeyQEICDKAVMHDOIG-JJCDKAMJSA-N
MW689.49 g/mol
LogP11.56
Rot. Bonds5

About [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane

[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane (PubChem CID 139096792) has the molecular formula C36H72OSi6 and a molecular weight of 689.49 g/mol. Its IUPAC name is [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane
PubChem CID139096792
Molecular FormulaC36H72OSi6
Molecular Weight689.49 g/mol
Exact Mass688.42
IUPAC Name[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC1=C([Si](C)(C)C(C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)O[C@]1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C36H72OSi6/c1-33(2,3)41(16,17)21-20-31-32(42(18,19)34(4,5)6)43(39(10,11)12,40(13,14)15)37-36(31,38(7,8)9)35-25-28-22-29(26-35)24-30(23-28)27-35/h28-30H,22-27H2,1-19H3/t28?,29?,30?,35?,36-/m0/s1
InChIKeyQEICDKAVMHDOIG-JJCDKAMJSA-N
XLogP11.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.49
LogP ≤ 511.56
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 [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane?
The IUPAC name of [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane (CID 139096792) is [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane.
What is the SMILES notation for [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane?
The canonical SMILES for [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane is CC(C)(C)[Si](C)(C)C#CC1=C([Si](C)(C)C(C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)O[C@]1(C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C.
What is the InChIKey of [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane?
The InChIKey is QEICDKAVMHDOIG-JJCDKAMJSA-N. The full InChI is InChI=1S/C36H72OSi6/c1-33(2,3)41(16,17)21-20-31-32(42(18,19)34(4,5)6)43(39(10,11)12,40(13,14)15)37-36(31,38(7,8)9)35-25-28-22-29(26-35)24-30(23-28)27-35/h28-30H,22-27H2,1-19H3/t28?,29?,30?,35?,36-/m0/s1.
What are the key properties of [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane?
[(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane has a molecular weight of 689.49 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(1-adamantyl)-3-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-bis(trimethylsilyl)oxasilol-5-yl]-trimethylsilane is sourced from PubChem (CID 139096792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).