(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile

C19H33NOSi — CID 57412516

IUPAC(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile
SMILESC/C1=C\CC(C)(C)/C=C/C(C#N)(O[Si](C)(C)C)C(C)CCC1
InChIInChI=1S/C19H33NOSi/c1-16-9-8-10-17(2)19(15-20,21-22(5,6)7)14-13-18(3,4)12-11-16/h11,13-14,17H,8-10,12H2,1-7H3/b14-13+,16-11+
InChIKeyHCHDYBVACYBOKQ-JXZFAPNESA-N
MW319.57 g/mol
LogP5.84
Rot. Bonds2

About (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile

(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile (PubChem CID 57412516) has the molecular formula C19H33NOSi and a molecular weight of 319.57 g/mol. Its IUPAC name is (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile.

Molecular Properties

Compound Name(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile
PubChem CID57412516
Molecular FormulaC19H33NOSi
Molecular Weight319.57 g/mol
Exact Mass319.23
IUPAC Name(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile
SMILESC/C1=C\CC(C)(C)/C=C/C(C#N)(O[Si](C)(C)C)C(C)CCC1
InChIInChI=1S/C19H33NOSi/c1-16-9-8-10-17(2)19(15-20,21-22(5,6)7)14-13-18(3,4)12-11-16/h11,13-14,17H,8-10,12H2,1-7H3/b14-13+,16-11+
InChIKeyHCHDYBVACYBOKQ-JXZFAPNESA-N
XLogP5.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.57
LogP ≤ 55.84
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 (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile?
The IUPAC name of (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile (CID 57412516) is (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile.
What is the SMILES notation for (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile?
The canonical SMILES for (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile is C/C1=C\CC(C)(C)/C=C/C(C#N)(O[Si](C)(C)C)C(C)CCC1.
What is the InChIKey of (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile?
The InChIKey is HCHDYBVACYBOKQ-JXZFAPNESA-N. The full InChI is InChI=1S/C19H33NOSi/c1-16-9-8-10-17(2)19(15-20,21-22(5,6)7)14-13-18(3,4)12-11-16/h11,13-14,17H,8-10,12H2,1-7H3/b14-13+,16-11+.
What are the key properties of (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile?
(2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile has a molecular weight of 319.57 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4,4,7,11-tetramethyl-1-trimethylsilyloxycycloundeca-2,6-diene-1-carbonitrile is sourced from PubChem (CID 57412516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).