tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane

C26H36OSi — CID 135033492

IUPACtert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane
SMILESCC1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C(C)C)CC1
InChIInChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)19-25(24)27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-20,24-25H,17-18H2,1-6H3/t24-,25+/m0/s1
InChIKeyXBBJUIILXBYNOP-LOSJGSFVSA-N
MW392.66 g/mol
LogP5.94
Rot. Bonds5

About tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane

tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane (PubChem CID 135033492) has the molecular formula C26H36OSi and a molecular weight of 392.66 g/mol. Its IUPAC name is tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane
PubChem CID135033492
Molecular FormulaC26H36OSi
Molecular Weight392.66 g/mol
Exact Mass392.25
IUPAC Nametert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane
SMILESCC1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C(C)C)CC1
InChIInChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)19-25(24)27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-20,24-25H,17-18H2,1-6H3/t24-,25+/m0/s1
InChIKeyXBBJUIILXBYNOP-LOSJGSFVSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 55.94
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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Related Compounds

tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 11352003
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
[(3R,4R)-3-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-4-propan-2-ylcyclohexen-1-yl] N,N-di(propan-2-yl)carbamate
CID 16752937
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 102031533
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane (CID 135033492) is tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane is CC1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C(C)C)CC1.
What is the InChIKey of tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane?
The InChIKey is XBBJUIILXBYNOP-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)19-25(24)27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-20,24-25H,17-18H2,1-6H3/t24-,25+/m0/s1.
What are the key properties of tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane?
tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane has a molecular weight of 392.66 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]oxy-diphenylsilane is sourced from PubChem (CID 135033492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).