tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane

C17H33NOSi — CID 134863476

IUPACtert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C17H33NOSi/c1-17(2,3)20(4,5)19-14-16-12-9-13-18(16)15-10-7-6-8-11-15/h10,16H,6-9,11-14H2,1-5H3/t16-/m0/s1
InChIKeyZHCNLLHUUJTLLG-INIZCTEOSA-N
MW295.54 g/mol
LogP4.93
Rot. Bonds4

About tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane (PubChem CID 134863476) has the molecular formula C17H33NOSi and a molecular weight of 295.54 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane
PubChem CID134863476
Molecular FormulaC17H33NOSi
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Nametert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C17H33NOSi/c1-17(2,3)20(4,5)19-14-16-12-9-13-18(16)15-10-7-6-8-11-15/h10,16H,6-9,11-14H2,1-5H3/t16-/m0/s1
InChIKeyZHCNLLHUUJTLLG-INIZCTEOSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy-trimethylsilane
CID 10912053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane
CID 134850381
tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane
CID 175837358
tert-butyl-dimethyl-[[(3R)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]methoxy]silane
CID 175842331
tert-butyl-dimethyl-[(1-methyl-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl)methoxy]silane
CID 175888646
tert-butyl-dimethyl-[[(3S)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]methoxy]silane
CID 176253035
[(Z,2S)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]-trimethylsilane
CID 10659619
[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy-trimethylsilane
CID 11128839
[1-(Cyclohexen-1-yl)pyrrolidin-2-yl]methoxy-trimethylsilane
CID 13529812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane (CID 134863476) is tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane?
The InChIKey is ZHCNLLHUUJTLLG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33NOSi/c1-17(2,3)20(4,5)19-14-16-12-9-13-18(16)15-10-7-6-8-11-15/h10,16H,6-9,11-14H2,1-5H3/t16-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane has a molecular weight of 295.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134863476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).