[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane

C25H50O3Si — CID 11560954

IUPAC[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-20(2)29(21(3)4,22(5)6)28-24-18-14-10-9-12-16-23(24)17-13-11-15-19-25(26-7)27-8/h17,20-22,24-25H,9-16,18-19H2,1-8H3/b23-17-
InChIKeyQURPRQPUSDJZDK-QJOMJCCJSA-N
MW426.76 g/mol
LogP8.01
Rot. Bonds12

About [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane

[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane (PubChem CID 11560954) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
PubChem CID11560954
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Name[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-20(2)29(21(3)4,22(5)6)28-24-18-14-10-9-12-16-23(24)17-13-11-15-19-25(26-7)27-8/h17,20-22,24-25H,9-16,18-19H2,1-8H3/b23-17-
InChIKeyQURPRQPUSDJZDK-QJOMJCCJSA-N
XLogP8.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane (CID 11560954) is [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane is COC(CCCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The InChIKey is QURPRQPUSDJZDK-QJOMJCCJSA-N. The full InChI is InChI=1S/C25H50O3Si/c1-20(2)29(21(3)4,22(5)6)28-24-18-14-10-9-12-16-23(24)17-13-11-15-19-25(26-7)27-8/h17,20-22,24-25H,9-16,18-19H2,1-8H3/b23-17-.
What are the key properties of [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
[(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane has a molecular weight of 426.76 g/mol, XLogP of 8.01, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(6,6-dimethoxyhexylidene)cyclooctyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).