(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile

C24H39NOSi — CID 22844414

IUPAC(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
SMILESC/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C24H39NOSi/c1-19(2)23-16-15-21(4)13-9-11-20(3)12-10-14-22(5)17-24(23,18-25)26-27(6,7)8/h11,14-16,19H,9-10,12-13,17H2,1-8H3/b20-11+,21-15+,22-14+,23-16+
InChIKeyXMHLLFMVLNNBOA-FWFWHXBVSA-N
MW385.67 g/mol
LogP7.49
Rot. Bonds3

About (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile

(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile (PubChem CID 22844414) has the molecular formula C24H39NOSi and a molecular weight of 385.67 g/mol. Its IUPAC name is (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile.

Molecular Properties

Compound Name(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
PubChem CID22844414
Molecular FormulaC24H39NOSi
Molecular Weight385.67 g/mol
Exact Mass385.28
IUPAC Name(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
SMILESC/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C24H39NOSi/c1-19(2)23-16-15-21(4)13-9-11-20(3)12-10-14-22(5)17-24(23,18-25)26-27(6,7)8/h11,14-16,19H,9-10,12-13,17H2,1-8H3/b20-11+,21-15+,22-14+,23-16+
InChIKeyXMHLLFMVLNNBOA-FWFWHXBVSA-N
XLogP7.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.67
LogP ≤ 57.49
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,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The IUPAC name of (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile (CID 22844414) is (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile.
What is the SMILES notation for (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The canonical SMILES for (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile is C/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(C)=C/CC1.
What is the InChIKey of (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The InChIKey is XMHLLFMVLNNBOA-FWFWHXBVSA-N. The full InChI is InChI=1S/C24H39NOSi/c1-19(2)23-16-15-21(4)13-9-11-20(3)12-10-14-22(5)17-24(23,18-25)26-27(6,7)8/h11,14-16,19H,9-10,12-13,17H2,1-8H3/b20-11+,21-15+,22-14+,23-16+.
What are the key properties of (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile has a molecular weight of 385.67 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile is sourced from PubChem (CID 22844414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).