[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane

C25H50O3Si — CID 11676258

IUPAC[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CC(C)(C)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-23-16-17-25(7,8)18-22(23)14-12-11-13-15-24(26-9)27-10/h14,19-21,23-24H,11-13,15-18H2,1-10H3/b22-14-/t23-/m0/s1
InChIKeyJLWLCOFKVOEIBQ-SINAZASISA-N
MW426.76 g/mol
LogP7.86
Rot. Bonds12

About [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane

[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11676258) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID11676258
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Name[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CC(C)(C)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-23-16-17-25(7,8)18-22(23)14-12-11-13-15-24(26-9)27-10/h14,19-21,23-24H,11-13,15-18H2,1-10H3/b22-14-/t23-/m0/s1
InChIKeyJLWLCOFKVOEIBQ-SINAZASISA-N
XLogP7.86
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 ≤ 57.86
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 [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane (CID 11676258) is [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane is COC(CCCC/C=C1/CC(C)(C)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is JLWLCOFKVOEIBQ-SINAZASISA-N. The full InChI is InChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-23-16-17-25(7,8)18-22(23)14-12-11-13-15-24(26-9)27-10/h14,19-21,23-24H,11-13,15-18H2,1-10H3/b22-14-/t23-/m0/s1.
What are the key properties of [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 426.76 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11676258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).