tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane

C20H32O2Si — CID 11823786

IUPACtert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(6,7)22-18-14-13-17(15-18)21-20(4,5)16-11-9-8-10-12-16/h8-14,17-18H,15H2,1-7H3/t17-,18+/m0/s1
InChIKeyYIHXPFUWTOUTBJ-ZWKOTPCHSA-N
MW332.56 g/mol
LogP5.66
Rot. Bonds5

About tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane (PubChem CID 11823786) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
PubChem CID11823786
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Nametert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(6,7)22-18-14-13-17(15-18)21-20(4,5)16-11-9-8-10-12-16/h8-14,17-18H,15H2,1-7H3/t17-,18+/m0/s1
InChIKeyYIHXPFUWTOUTBJ-ZWKOTPCHSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.66
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'}

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Launch Full Analysis

Related Compounds

tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
benzyl N-[(1S,3R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylseleninylcyclohept-4-en-1-yl]carbamate
CID 11757189
[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol
CID 102172046
tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
benzyl N-[(1S,3R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylselanylcyclohept-4-en-1-yl]carbamate
CID 10437033
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane (CID 11823786) is tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane is CC(C)(O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The InChIKey is YIHXPFUWTOUTBJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-19(2,3)23(6,7)22-18-14-13-17(15-18)21-20(4,5)16-11-9-8-10-12-16/h8-14,17-18H,15H2,1-7H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane has a molecular weight of 332.56 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 11823786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).