tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane

C16H33NOSi — CID 134850381

IUPACtert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane
SMILESCC(C)/C=C/N1CCC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NOSi/c1-14(2)10-12-17-11-8-9-15(17)13-18-19(6,7)16(3,4)5/h10,12,14-15H,8-9,11,13H2,1-7H3/b12-10+/t15-/m0/s1
InChIKeyHNDVLKOXZUUHBP-PABFRNLHSA-N
MW283.53 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane (PubChem CID 134850381) has the molecular formula C16H33NOSi and a molecular weight of 283.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane
PubChem CID134850381
Molecular FormulaC16H33NOSi
Molecular Weight283.53 g/mol
Exact Mass283.23
IUPAC Nametert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane
SMILESCC(C)/C=C/N1CCC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NOSi/c1-14(2)10-12-17-11-8-9-15(17)13-18-19(6,7)16(3,4)5/h10,12,14-15H,8-9,11,13H2,1-7H3/b12-10+/t15-/m0/s1
InChIKeyHNDVLKOXZUUHBP-PABFRNLHSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane (CID 134850381) is tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane is CC(C)/C=C/N1CCC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane?
The InChIKey is HNDVLKOXZUUHBP-PABFRNLHSA-N. The full InChI is InChI=1S/C16H33NOSi/c1-14(2)10-12-17-11-8-9-15(17)13-18-19(6,7)16(3,4)5/h10,12,14-15H,8-9,11,13H2,1-7H3/b12-10+/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane has a molecular weight of 283.53 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]silane is sourced from PubChem (CID 134850381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).