(3R)-3-trimethylsilyloxyhex-5-enenitrile

C9H17NOSi — CID 132509997

IUPAC(3R)-3-trimethylsilyloxyhex-5-enenitrile
SMILESC=CC[C@H](CC#N)O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-5-6-9(7-8-10)11-12(2,3)4/h5,9H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyAELFUUJAVQTIAF-SECBINFHSA-N
MW183.33 g/mol
LogP2.70
Rot. Bonds5

About (3R)-3-trimethylsilyloxyhex-5-enenitrile

(3R)-3-trimethylsilyloxyhex-5-enenitrile (PubChem CID 132509997) has the molecular formula C9H17NOSi and a molecular weight of 183.33 g/mol. Its IUPAC name is (3R)-3-trimethylsilyloxyhex-5-enenitrile.

Molecular Properties

Compound Name(3R)-3-trimethylsilyloxyhex-5-enenitrile
PubChem CID132509997
Molecular FormulaC9H17NOSi
Molecular Weight183.33 g/mol
Exact Mass183.11
IUPAC Name(3R)-3-trimethylsilyloxyhex-5-enenitrile
SMILESC=CC[C@H](CC#N)O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-5-6-9(7-8-10)11-12(2,3)4/h5,9H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyAELFUUJAVQTIAF-SECBINFHSA-N
XLogP2.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.33
LogP ≤ 52.70
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 (3R)-3-trimethylsilyloxyhex-5-enenitrile?
The IUPAC name of (3R)-3-trimethylsilyloxyhex-5-enenitrile (CID 132509997) is (3R)-3-trimethylsilyloxyhex-5-enenitrile.
What is the SMILES notation for (3R)-3-trimethylsilyloxyhex-5-enenitrile?
The canonical SMILES for (3R)-3-trimethylsilyloxyhex-5-enenitrile is C=CC[C@H](CC#N)O[Si](C)(C)C.
What is the InChIKey of (3R)-3-trimethylsilyloxyhex-5-enenitrile?
The InChIKey is AELFUUJAVQTIAF-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NOSi/c1-5-6-9(7-8-10)11-12(2,3)4/h5,9H,1,6-7H2,2-4H3/t9-/m1/s1.
What are the key properties of (3R)-3-trimethylsilyloxyhex-5-enenitrile?
(3R)-3-trimethylsilyloxyhex-5-enenitrile has a molecular weight of 183.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-trimethylsilyloxyhex-5-enenitrile is sourced from PubChem (CID 132509997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).