tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane

C14H29NOSi — CID 175570207

IUPACtert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane
SMILESC=C1CCNC1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NOSi/c1-12-9-10-15-13(12)8-7-11-16-17(5,6)14(2,3)4/h13,15H,1,7-11H2,2-6H3
InChIKeyNZPGOKBTXYZONF-UHFFFAOYSA-N
MW255.48 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane

tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane (PubChem CID 175570207) has the molecular formula C14H29NOSi and a molecular weight of 255.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane
PubChem CID175570207
Molecular FormulaC14H29NOSi
Molecular Weight255.48 g/mol
Exact Mass255.20
IUPAC Nametert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane
SMILESC=C1CCNC1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NOSi/c1-12-9-10-15-13(12)8-7-11-16-17(5,6)14(2,3)4/h13,15H,1,7-11H2,2-6H3
InChIKeyNZPGOKBTXYZONF-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane (CID 175570207) is tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane is C=C1CCNC1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane?
The InChIKey is NZPGOKBTXYZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOSi/c1-12-9-10-15-13(12)8-7-11-16-17(5,6)14(2,3)4/h13,15H,1,7-11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane?
tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane has a molecular weight of 255.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(3-methylidenepyrrolidin-2-yl)propoxy]silane is sourced from PubChem (CID 175570207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).