(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile

C27H43NOSi — CID 15479500

IUPAC(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C#N)O[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C27H43NOSi/c1-21(16-17-25-23(3)15-12-18-27(25,7)8)13-11-14-22(2)19-24(20-28)29-30(9,10)26(4,5)6/h11,13-14,16-17,19,24H,12,15,18H2,1-10H3/b14-11+,17-16+,21-13+,22-19+
InChIKeyLJKFKXGULCBZKA-GACWXCDRSA-N
MW425.73 g/mol
LogP8.43
Rot. Bonds7

About (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile

(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile (PubChem CID 15479500) has the molecular formula C27H43NOSi and a molecular weight of 425.73 g/mol. Its IUPAC name is (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile.

Molecular Properties

Compound Name(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
PubChem CID15479500
Molecular FormulaC27H43NOSi
Molecular Weight425.73 g/mol
Exact Mass425.31
IUPAC Name(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C#N)O[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C27H43NOSi/c1-21(16-17-25-23(3)15-12-18-27(25,7)8)13-11-14-22(2)19-24(20-28)29-30(9,10)26(4,5)6/h11,13-14,16-17,19,24H,12,15,18H2,1-10H3/b14-11+,17-16+,21-13+,22-19+
InChIKeyLJKFKXGULCBZKA-GACWXCDRSA-N
XLogP8.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.73
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?
The IUPAC name of (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile (CID 15479500) is (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile.
What is the SMILES notation for (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?
The canonical SMILES for (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(C#N)O[Si](C)(C)C(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?
The InChIKey is LJKFKXGULCBZKA-GACWXCDRSA-N. The full InChI is InChI=1S/C27H43NOSi/c1-21(16-17-25-23(3)15-12-18-27(25,7)8)13-11-14-22(2)19-24(20-28)29-30(9,10)26(4,5)6/h11,13-14,16-17,19,24H,12,15,18H2,1-10H3/b14-11+,17-16+,21-13+,22-19+.
What are the key properties of (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?
(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile has a molecular weight of 425.73 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile is sourced from PubChem (CID 15479500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).