[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane

C22H42O3Si2 — CID 173074824

IUPAC[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane
SMILESC=C(C=C(OCC)C1([Si](C)(C)C)CCCCO1)C1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C22H42O3Si2/c1-9-23-20(22(27(6,7)8)15-11-13-17-25-22)18-19(2)21(26(3,4)5)14-10-12-16-24-21/h18H,2,9-17H2,1,3-8H3
InChIKeyYUEPRMBUKSRTSI-UHFFFAOYSA-N
MW410.75 g/mol
LogP6.10
Rot. Bonds7

About [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane

[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane (PubChem CID 173074824) has the molecular formula C22H42O3Si2 and a molecular weight of 410.75 g/mol. Its IUPAC name is [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane
PubChem CID173074824
Molecular FormulaC22H42O3Si2
Molecular Weight410.75 g/mol
Exact Mass410.27
IUPAC Name[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane
SMILESC=C(C=C(OCC)C1([Si](C)(C)C)CCCCO1)C1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C22H42O3Si2/c1-9-23-20(22(27(6,7)8)15-11-13-17-25-22)18-19(2)21(26(3,4)5)14-10-12-16-24-21/h18H,2,9-17H2,1,3-8H3
InChIKeyYUEPRMBUKSRTSI-UHFFFAOYSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 56.10
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'}

Analyze [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane?
The IUPAC name of [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane (CID 173074824) is [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane.
What is the SMILES notation for [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane?
The canonical SMILES for [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane is C=C(C=C(OCC)C1([Si](C)(C)C)CCCCO1)C1([Si](C)(C)C)CCCCO1.
What is the InChIKey of [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane?
The InChIKey is YUEPRMBUKSRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si2/c1-9-23-20(22(27(6,7)8)15-11-13-17-25-22)18-19(2)21(26(3,4)5)14-10-12-16-24-21/h18H,2,9-17H2,1,3-8H3.
What are the key properties of [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane?
[2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane has a molecular weight of 410.75 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-ethoxy-3-(2-trimethylsilyloxan-2-yl)buta-1,3-dienyl]oxan-2-yl]-trimethylsilane is sourced from PubChem (CID 173074824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).