(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile

C24H37NOSi — CID 101116648

IUPAC(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-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)CCC1
InChIInChI=1S/C24H37NOSi/c1-19(14-15-23-21(3)13-10-16-24(23,4)5)11-9-12-20(2)17-22(18-25)26-27(6,7)8/h9,11-12,14-15,17,22H,10,13,16H2,1-8H3/b12-9+,15-14+,19-11+,20-17+
InChIKeyPNOWACWORYUQQM-XUJYDZMUSA-N
MW383.65 g/mol
LogP7.26
Rot. Bonds7

About (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile

(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile (PubChem CID 101116648) has the molecular formula C24H37NOSi and a molecular weight of 383.65 g/mol. Its IUPAC name is (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile.

Molecular Properties

Compound Name(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile
PubChem CID101116648
Molecular FormulaC24H37NOSi
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-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)CCC1
InChIInChI=1S/C24H37NOSi/c1-19(14-15-23-21(3)13-10-16-24(23,4)5)11-9-12-20(2)17-22(18-25)26-27(6,7)8/h9,11-12,14-15,17,22H,10,13,16H2,1-8H3/b12-9+,15-14+,19-11+,20-17+
InChIKeyPNOWACWORYUQQM-XUJYDZMUSA-N
XLogP7.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 57.26
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'}

Analyze (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
2-[(5R)-5-[(1R,2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]-2,6,6-trimethylcyclohexen-1-yl]acetonitrile
CID 134901613
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
(2E,4E)-3-methyl-5-[(3R,4S)-2,6,6-trimethyl-3,4-bis(trimethylsilyloxy)cyclohexen-1-yl]penta-2,4-dienenitrile
CID 14631324
tert-butyl-dimethyl-[(2E,4Z,6E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoxy]silane
CID 21729900
[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 552930
(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
2-[Tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
CID 73195997
(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile
CID 10266298
triethyl-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 10662616
tert-butyl-[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10692401

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile?
The IUPAC name of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile (CID 101116648) is (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile.
What is the SMILES notation for (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile?
The canonical SMILES for (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-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)CCC1.
What is the InChIKey of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile?
The InChIKey is PNOWACWORYUQQM-XUJYDZMUSA-N. The full InChI is InChI=1S/C24H37NOSi/c1-19(14-15-23-21(3)13-10-16-24(23,4)5)11-9-12-20(2)17-22(18-25)26-27(6,7)8/h9,11-12,14-15,17,22H,10,13,16H2,1-8H3/b12-9+,15-14+,19-11+,20-17+.
What are the key properties of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile?
(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile has a molecular weight of 383.65 g/mol, XLogP of 7.26, 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)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile is sourced from PubChem (CID 101116648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).