(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile

C11H21NOSi — CID 10921789

IUPAC(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
SMILESC/C=C/C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7-8,10H,1-6H3/b8-7+
InChIKeyBISRPADAWHOYPE-BQYQJAHWSA-N
MW211.38 g/mol
LogP3.48
Rot. Bonds3

About (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile

(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile (PubChem CID 10921789) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
PubChem CID10921789
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
SMILESC/C=C/C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7-8,10H,1-6H3/b8-7+
InChIKeyBISRPADAWHOYPE-BQYQJAHWSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile?
The IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile (CID 10921789) is (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile.
What is the SMILES notation for (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile?
The canonical SMILES for (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile is C/C=C/C(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile?
The InChIKey is BISRPADAWHOYPE-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7-8,10H,1-6H3/b8-7+.
What are the key properties of (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile?
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile has a molecular weight of 211.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile is sourced from PubChem (CID 10921789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).