[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane

C24H48O3Si — CID 11560635

IUPAC[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C24H48O3Si/c1-19(2)28(20(3)4,21(5)6)27-23-17-12-10-9-11-15-22(23)16-13-14-18-24(25-7)26-8/h16,19-21,23-24H,9-15,17-18H2,1-8H3/b22-16-
InChIKeyWJGYSVSCOZWZPU-JWGURIENSA-N
MW412.73 g/mol
LogP7.62
Rot. Bonds11

About [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane

[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane (PubChem CID 11560635) has the molecular formula C24H48O3Si and a molecular weight of 412.73 g/mol. Its IUPAC name is [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
PubChem CID11560635
Molecular FormulaC24H48O3Si
Molecular Weight412.73 g/mol
Exact Mass412.34
IUPAC Name[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C24H48O3Si/c1-19(2)28(20(3)4,21(5)6)27-23-17-12-10-9-11-15-22(23)16-13-14-18-24(25-7)26-8/h16,19-21,23-24H,9-15,17-18H2,1-8H3/b22-16-
InChIKeyWJGYSVSCOZWZPU-JWGURIENSA-N
XLogP7.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 57.62
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-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane (CID 11560635) is [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane is COC(CCC/C=C1/CCCCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
The InChIKey is WJGYSVSCOZWZPU-JWGURIENSA-N. The full InChI is InChI=1S/C24H48O3Si/c1-19(2)28(20(3)4,21(5)6)27-23-17-12-10-9-11-15-22(23)16-13-14-18-24(25-7)26-8/h16,19-21,23-24H,9-15,17-18H2,1-8H3/b22-16-.
What are the key properties of [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane?
[(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane has a molecular weight of 412.73 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(5,5-dimethoxypentylidene)cyclooctyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11560635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).