tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane

C21H40O3Si2 — CID 11143763

IUPACtert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane
SMILESC=CCC1(OCOCC[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C21H40O3Si2/c1-10-13-21(23-18-22-16-17-25(5,6)7)14-11-19(12-15-21)24-26(8,9)20(2,3)4/h10-12,14H,1,13,15-18H2,2-9H3
InChIKeyJLQILGHRJHDUMQ-UHFFFAOYSA-N
MW396.72 g/mol
LogP6.50
Rot. Bonds10

About tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane

tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane (PubChem CID 11143763) has the molecular formula C21H40O3Si2 and a molecular weight of 396.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane
PubChem CID11143763
Molecular FormulaC21H40O3Si2
Molecular Weight396.72 g/mol
Exact Mass396.25
IUPAC Nametert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane
SMILESC=CCC1(OCOCC[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C21H40O3Si2/c1-10-13-21(23-18-22-16-17-25(5,6)7)14-11-19(12-15-21)24-26(8,9)20(2,3)4/h10-12,14H,1,13,15-18H2,2-9H3
InChIKeyJLQILGHRJHDUMQ-UHFFFAOYSA-N
XLogP6.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 56.50
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 tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane (CID 11143763) is tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane is C=CCC1(OCOCC[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=CC1.
What is the InChIKey of tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane?
The InChIKey is JLQILGHRJHDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3Si2/c1-10-13-21(23-18-22-16-17-25(5,6)7)14-11-19(12-15-21)24-26(8,9)20(2,3)4/h10-12,14H,1,13,15-18H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane?
tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane has a molecular weight of 396.72 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-prop-2-enyl-4-(2-trimethylsilylethoxymethoxy)cyclohexa-1,5-dien-1-yl]oxysilane is sourced from PubChem (CID 11143763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).