tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane

C24H46O3Si — CID 14657946

IUPACtert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(C(C)C)C1OCCO1
InChIInChI=1S/C24H46O3Si/c1-19(2)22(23-25-17-18-26-23)14-13-20(3)11-10-12-21(4)15-16-27-28(8,9)24(5,6)7/h11,15,19,22-23H,10,12-14,16-18H2,1-9H3/b20-11+,21-15+
InChIKeyBGJHUVBAGOEHNX-JAGDBARYSA-N
MW410.72 g/mol
LogP7.11
Rot. Bonds11

About tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane (PubChem CID 14657946) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
PubChem CID14657946
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Nametert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(C(C)C)C1OCCO1
InChIInChI=1S/C24H46O3Si/c1-19(2)22(23-25-17-18-26-23)14-13-20(3)11-10-12-21(4)15-16-27-28(8,9)24(5,6)7/h11,15,19,22-23H,10,12-14,16-18H2,1-9H3/b20-11+,21-15+
InChIKeyBGJHUVBAGOEHNX-JAGDBARYSA-N
XLogP7.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.11
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'}

Analyze tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane 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 tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane (CID 14657946) is tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(C(C)C)C1OCCO1.
What is the InChIKey of tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane?
The InChIKey is BGJHUVBAGOEHNX-JAGDBARYSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-19(2)22(23-25-17-18-26-23)14-13-20(3)11-10-12-21(4)15-16-27-28(8,9)24(5,6)7/h11,15,19,22-23H,10,12-14,16-18H2,1-9H3/b20-11+,21-15+.
What are the key properties of tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane has a molecular weight of 410.72 g/mol, XLogP of 7.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 14657946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).