[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane

C23H46O3Si — CID 11153764

IUPAC[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1\CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C23H46O3Si/c1-18(2)27(19(3)4,20(5)6)26-22-16-13-12-15-21(22)14-10-9-11-17-23(24-7)25-8/h14,18-20,22-23H,9-13,15-17H2,1-8H3/b21-14+
InChIKeyYYLHXDRCGDHWJE-KGENOOAVSA-N
MW398.70 g/mol
LogP7.23
Rot. Bonds12

About [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane

[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11153764) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID11153764
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Name[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1\CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C23H46O3Si/c1-18(2)27(19(3)4,20(5)6)26-22-16-13-12-15-21(22)14-10-9-11-17-23(24-7)25-8/h14,18-20,22-23H,9-13,15-17H2,1-8H3/b21-14+
InChIKeyYYLHXDRCGDHWJE-KGENOOAVSA-N
XLogP7.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 57.23
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 [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane (CID 11153764) is [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane is COC(CCCC/C=C1\CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is YYLHXDRCGDHWJE-KGENOOAVSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-18(2)27(19(3)4,20(5)6)26-22-16-13-12-15-21(22)14-10-9-11-17-23(24-7)25-8/h14,18-20,22-23H,9-13,15-17H2,1-8H3/b21-14+.
What are the key properties of [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 398.70 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11153764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).