tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane

C26H34O2Si — CID 11223498

IUPACtert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane
SMILESC[C@@H]1C=C[C@@H](C2(C)CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O2Si/c1-20-16-17-21(26(5)19-27-26)18-24(20)28-29(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20-21,24H,18-19H2,1-5H3/t20-,21-,24+,26?/m1/s1
InChIKeyCQIGISOOESQUQL-JEUOTXNPSA-N
MW406.64 g/mol
LogP4.93
Rot. Bonds5

About tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane

tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane (PubChem CID 11223498) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane
PubChem CID11223498
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Nametert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane
SMILESC[C@@H]1C=C[C@@H](C2(C)CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O2Si/c1-20-16-17-21(26(5)19-27-26)18-24(20)28-29(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20-21,24H,18-19H2,1-5H3/t20-,21-,24+,26?/m1/s1
InChIKeyCQIGISOOESQUQL-JEUOTXNPSA-N
XLogP4.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S,4S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-6-(2-methyloxiran-2-yl)cyclohexan-1-ol
CID 11467037
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane (CID 11223498) is tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane is C[C@@H]1C=C[C@@H](C2(C)CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The InChIKey is CQIGISOOESQUQL-JEUOTXNPSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-20-16-17-21(26(5)19-27-26)18-24(20)28-29(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20-21,24H,18-19H2,1-5H3/t20-,21-,24+,26?/m1/s1.
What are the key properties of tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane has a molecular weight of 406.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane is sourced from PubChem (CID 11223498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).