[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane

C24H46OSi2 — CID 135068814

IUPAC[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
SMILESC=CC/C(=C\C(O[Si](CC)(CC)CC)C1=CCCCC1)[Si](CC)(CC)CC
InChIInChI=1S/C24H46OSi2/c1-8-18-23(26(9-2,10-3)11-4)21-24(22-19-16-15-17-20-22)25-27(12-5,13-6)14-7/h8,19,21,24H,1,9-18,20H2,2-7H3/b23-21+
InChIKeyROKFDAFXZBIKDA-XTQSDGFTSA-N
MW406.80 g/mol
LogP8.43
Rot. Bonds13

About [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane

[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane (PubChem CID 135068814) has the molecular formula C24H46OSi2 and a molecular weight of 406.80 g/mol. Its IUPAC name is [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane.

Molecular Properties

Compound Name[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
PubChem CID135068814
Molecular FormulaC24H46OSi2
Molecular Weight406.80 g/mol
Exact Mass406.31
IUPAC Name[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
SMILESC=CC/C(=C\C(O[Si](CC)(CC)CC)C1=CCCCC1)[Si](CC)(CC)CC
InChIInChI=1S/C24H46OSi2/c1-8-18-23(26(9-2,10-3)11-4)21-24(22-19-16-15-17-20-22)25-27(12-5,13-6)14-7/h8,19,21,24H,1,9-18,20H2,2-7H3/b23-21+
InChIKeyROKFDAFXZBIKDA-XTQSDGFTSA-N
XLogP8.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.80
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)heptyloxy-
CID 91720803
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055
Silane, dimethyl(oct-3-en-2-yloxy)decyloxy-
CID 91740946
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)octadecyloxy-
CID 91744774
13c,16c-docosadienol, tBDMS
CID 6430207

Frequently Asked Questions

What is the IUPAC name of [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The IUPAC name of [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane (CID 135068814) is [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane.
What is the SMILES notation for [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The canonical SMILES for [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane is C=CC/C(=C\C(O[Si](CC)(CC)CC)C1=CCCCC1)[Si](CC)(CC)CC.
What is the InChIKey of [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The InChIKey is ROKFDAFXZBIKDA-XTQSDGFTSA-N. The full InChI is InChI=1S/C24H46OSi2/c1-8-18-23(26(9-2,10-3)11-4)21-24(22-19-16-15-17-20-22)25-27(12-5,13-6)14-7/h8,19,21,24H,1,9-18,20H2,2-7H3/b23-21+.
What are the key properties of [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane has a molecular weight of 406.80 g/mol, XLogP of 8.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane is sourced from PubChem (CID 135068814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).