tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane

C26H52O2Si2 — CID 70837305

IUPACtert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)C/C=C1\C[C@@H](CC(C)(C)[Si](C)(C)O)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H52O2Si2/c1-23(2,3)14-13-20-17-21(19-25(7,8)29(9,10)27)26(15-16-26)22(18-20)28-30(11,12)24(4,5)6/h13,21-22,27H,14-19H2,1-12H3/b20-13+/t21-,22+/m0/s1
InChIKeyRUZUOTVLCOEBME-KSUOCTFZSA-N
MW452.87 g/mol
LogP8.30
Rot. Bonds6

About tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane

tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane (PubChem CID 70837305) has the molecular formula C26H52O2Si2 and a molecular weight of 452.87 g/mol. Its IUPAC name is tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane
PubChem CID70837305
Molecular FormulaC26H52O2Si2
Molecular Weight452.87 g/mol
Exact Mass452.35
IUPAC Nametert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)C/C=C1\C[C@@H](CC(C)(C)[Si](C)(C)O)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H52O2Si2/c1-23(2,3)14-13-20-17-21(19-25(7,8)29(9,10)27)26(15-16-26)22(18-20)28-30(11,12)24(4,5)6/h13,21-22,27H,14-19H2,1-12H3/b20-13+/t21-,22+/m0/s1
InChIKeyRUZUOTVLCOEBME-KSUOCTFZSA-N
XLogP8.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.87
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane (CID 70837305) is tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane is CC(C)(C)C/C=C1\C[C@@H](CC(C)(C)[Si](C)(C)O)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane?
The InChIKey is RUZUOTVLCOEBME-KSUOCTFZSA-N. The full InChI is InChI=1S/C26H52O2Si2/c1-23(2,3)14-13-20-17-21(19-25(7,8)29(9,10)27)26(15-16-26)22(18-20)28-30(11,12)24(4,5)6/h13,21-22,27H,14-19H2,1-12H3/b20-13+/t21-,22+/m0/s1.
What are the key properties of tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane has a molecular weight of 452.87 g/mol, XLogP of 8.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane is sourced from PubChem (CID 70837305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).