[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane

C24H44OSi — CID 167424478

IUPAC[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C24H44OSi/c1-9-25-26(7,8)19-17-21(3)13-10-12-20(2)15-16-23-22(4)14-11-18-24(23,5)6/h12,17H,9-11,13-16,18-19H2,1-8H3/b20-12+,21-17+
InChIKeyRBFBQBQVVMJRDJ-PPTAUHKUSA-N
MW376.70 g/mol
LogP8.21
Rot. Bonds10

About [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane

[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane (PubChem CID 167424478) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane.

Molecular Properties

Compound Name[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane
PubChem CID167424478
Molecular FormulaC24H44OSi
Molecular Weight376.70 g/mol
Exact Mass376.32
IUPAC Name[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C24H44OSi/c1-9-25-26(7,8)19-17-21(3)13-10-12-20(2)15-16-23-22(4)14-11-18-24(23,5)6/h12,17H,9-11,13-16,18-19H2,1-8H3/b20-12+,21-17+
InChIKeyRBFBQBQVVMJRDJ-PPTAUHKUSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 58.21
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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Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane?
The IUPAC name of [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane (CID 167424478) is [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane.
What is the SMILES notation for [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane?
The canonical SMILES for [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane is CCO[Si](C)(C)C/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C.
What is the InChIKey of [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane?
The InChIKey is RBFBQBQVVMJRDJ-PPTAUHKUSA-N. The full InChI is InChI=1S/C24H44OSi/c1-9-25-26(7,8)19-17-21(3)13-10-12-20(2)15-16-23-22(4)14-11-18-24(23,5)6/h12,17H,9-11,13-16,18-19H2,1-8H3/b20-12+,21-17+.
What are the key properties of [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane?
[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane has a molecular weight of 376.70 g/mol, XLogP of 8.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-ethoxy-dimethylsilane is sourced from PubChem (CID 167424478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).