(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile

C11H21NOSi — CID 101359478

IUPAC(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/C(C#N)(CCC)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyKCTCNZKJQAGIME-SOFGYWHQSA-N
MW211.38 g/mol
LogP3.48
Rot. Bonds5

About (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile

(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile (PubChem CID 101359478) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
PubChem CID101359478
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/C(C#N)(CCC)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyKCTCNZKJQAGIME-SOFGYWHQSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-propyl-2-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile (CID 101359478) is (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile is C/C=C/C(C#N)(CCC)O[Si](C)(C)C.
What is the InChIKey of (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
The InChIKey is KCTCNZKJQAGIME-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6+.
What are the key properties of (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
(E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile has a molecular weight of 211.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propyl-2-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 101359478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).