tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane

C23H30OSi — CID 86277866

IUPACtert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane
SMILESC[C@H]1CCC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30OSi/c1-19-13-11-12-18-22(19)24-25(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,12,14-19,22H,11,13H2,1-4H3/t19-,22+/m0/s1
InChIKeyCOENMYFLIZCTHW-SIKLNZKXSA-N
MW350.58 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane

tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane (PubChem CID 86277866) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane
PubChem CID86277866
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Nametert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane
SMILESC[C@H]1CCC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30OSi/c1-19-13-11-12-18-22(19)24-25(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,12,14-19,22H,11,13H2,1-4H3/t19-,22+/m0/s1
InChIKeyCOENMYFLIZCTHW-SIKLNZKXSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane (CID 86277866) is tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane is C[C@H]1CCC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The InChIKey is COENMYFLIZCTHW-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H30OSi/c1-19-13-11-12-18-22(19)24-25(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,12,14-19,22H,11,13H2,1-4H3/t19-,22+/m0/s1.
What are the key properties of tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane?
tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane has a molecular weight of 350.58 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,6S)-6-methylcyclohex-2-en-1-yl]oxy-diphenylsilane is sourced from PubChem (CID 86277866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).