trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane

C20H38O3Si — CID 19753167

IUPACtrimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane
SMILESCC1CCC=C(CO[Si](C)(C)C)C1CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C20H38O3Si/c1-16-9-8-10-17(13-23-24(5,6)7)18(16)11-12-20(4)21-14-19(2,3)15-22-20/h10,16,18H,8-9,11-15H2,1-7H3
InChIKeyGRRSKYAZLRIVGL-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.38
Rot. Bonds6

About trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane

trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane (PubChem CID 19753167) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane
PubChem CID19753167
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametrimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane
SMILESCC1CCC=C(CO[Si](C)(C)C)C1CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C20H38O3Si/c1-16-9-8-10-17(13-23-24(5,6)7)18(16)11-12-20(4)21-14-19(2,3)15-22-20/h10,16,18H,8-9,11-15H2,1-7H3
InChIKeyGRRSKYAZLRIVGL-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane?
The IUPAC name of trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane (CID 19753167) is trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane.
What is the SMILES notation for trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane?
The canonical SMILES for trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane is CC1CCC=C(CO[Si](C)(C)C)C1CCC1(C)OCC(C)(C)CO1.
What is the InChIKey of trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane?
The InChIKey is GRRSKYAZLRIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-16-9-8-10-17(13-23-24(5,6)7)18(16)11-12-20(4)21-14-19(2,3)15-22-20/h10,16,18H,8-9,11-15H2,1-7H3.
What are the key properties of trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane?
trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane has a molecular weight of 354.61 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[5-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexen-1-yl]methoxy]silane is sourced from PubChem (CID 19753167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).