[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane

C22H40O3Si — CID 11058013

IUPAC[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/C=C/C1COC(C)(C)OC1
InChIInChI=1S/C22H40O3Si/c1-16(2)26(17(3)4,18(5)6)25-20(8)19(7)12-11-13-21-14-23-22(9,10)24-15-21/h11-13,16-18,21H,8,14-15H2,1-7,9-10H3/b13-11+,19-12+
InChIKeyASALEIMFDFHRSY-SZFRVYISSA-N
MW380.65 g/mol
LogP6.59
Rot. Bonds8

About [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane

[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11058013) has the molecular formula C22H40O3Si and a molecular weight of 380.65 g/mol. Its IUPAC name is [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID11058013
Molecular FormulaC22H40O3Si
Molecular Weight380.65 g/mol
Exact Mass380.27
IUPAC Name[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/C=C/C1COC(C)(C)OC1
InChIInChI=1S/C22H40O3Si/c1-16(2)26(17(3)4,18(5)6)25-20(8)19(7)12-11-13-21-14-23-22(9,10)24-15-21/h11-13,16-18,21H,8,14-15H2,1-7,9-10H3/b13-11+,19-12+
InChIKeyASALEIMFDFHRSY-SZFRVYISSA-N
XLogP6.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane (CID 11058013) is [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane is C=C(O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/C=C/C1COC(C)(C)OC1.
What is the InChIKey of [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ASALEIMFDFHRSY-SZFRVYISSA-N. The full InChI is InChI=1S/C22H40O3Si/c1-16(2)26(17(3)4,18(5)6)25-20(8)19(7)12-11-13-21-14-23-22(9,10)24-15-21/h11-13,16-18,21H,8,14-15H2,1-7,9-10H3/b13-11+,19-12+.
What are the key properties of [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 380.65 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11058013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).