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

C22H44O3Si — CID 11625173

IUPAC[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCC/C=C1/CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C22H44O3Si/c1-17(2)26(18(3)4,19(5)6)25-21-15-11-9-13-20(21)14-10-12-16-22(23-7)24-8/h14,17-19,21-22H,9-13,15-16H2,1-8H3/b20-14-
InChIKeyIKXAJOHMJFFRMS-ZHZULCJRSA-N
MW384.68 g/mol
LogP6.84
Rot. Bonds11

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

[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11625173) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID11625173
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCC/C=C1/CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C22H44O3Si/c1-17(2)26(18(3)4,19(5)6)25-21-15-11-9-13-20(21)14-10-12-16-22(23-7)24-8/h14,17-19,21-22H,9-13,15-16H2,1-8H3/b20-14-
InChIKeyIKXAJOHMJFFRMS-ZHZULCJRSA-N
XLogP6.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.84
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)cyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane (CID 11625173) is [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane is COC(CCC/C=C1/CCCCC1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is IKXAJOHMJFFRMS-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-17(2)26(18(3)4,19(5)6)25-21-15-11-9-13-20(21)14-10-12-16-22(23-7)24-8/h14,17-19,21-22H,9-13,15-16H2,1-8H3/b20-14-.
What are the key properties of [(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane?
[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 384.68 g/mol, XLogP of 6.84, 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)cyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11625173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).