(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile

C16H27NOSi — CID 100951948

IUPAC(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile
SMILESC/C=C/CC/C=C/CC/C=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C16H27NOSi/c1-5-6-7-8-9-10-11-12-13-14-16(15-17)18-19(2,3)4/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3/b6-5+,10-9+,14-13+
InChIKeyCGTVUUWOZNBPGX-ITJAWTGISA-N
MW277.48 g/mol
LogP4.98
Rot. Bonds9

About (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile

(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile (PubChem CID 100951948) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile.

Molecular Properties

Compound Name(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile
PubChem CID100951948
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile
SMILESC/C=C/CC/C=C/CC/C=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C16H27NOSi/c1-5-6-7-8-9-10-11-12-13-14-16(15-17)18-19(2,3)4/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3/b6-5+,10-9+,14-13+
InChIKeyCGTVUUWOZNBPGX-ITJAWTGISA-N
XLogP4.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
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 (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile?
The IUPAC name of (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile (CID 100951948) is (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile.
What is the SMILES notation for (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile?
The canonical SMILES for (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile is C/C=C/CC/C=C/CC/C=C/C(C#N)O[Si](C)(C)C.
What is the InChIKey of (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile?
The InChIKey is CGTVUUWOZNBPGX-ITJAWTGISA-N. The full InChI is InChI=1S/C16H27NOSi/c1-5-6-7-8-9-10-11-12-13-14-16(15-17)18-19(2,3)4/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3/b6-5+,10-9+,14-13+.
What are the key properties of (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile?
(3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile has a molecular weight of 277.48 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,11E)-2-trimethylsilyloxytrideca-3,7,11-trienenitrile is sourced from PubChem (CID 100951948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).