tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane

C22H44OSi — CID 46185276

IUPACtert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
SMILESC=CCC(C)(CC=C)CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-9-17-22(6,18-10-2)19-15-13-11-12-14-16-20-23-24(7,8)21(3,4)5/h9-10H,1-2,11-20H2,3-8H3
InChIKeyQNWJYDXSNDJYRD-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.90
Rot. Bonds14

About tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane

tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane (PubChem CID 46185276) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
PubChem CID46185276
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
SMILESC=CCC(C)(CC=C)CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-9-17-22(6,18-10-2)19-15-13-11-12-14-16-20-23-24(7,8)21(3,4)5/h9-10H,1-2,11-20H2,3-8H3
InChIKeyQNWJYDXSNDJYRD-UHFFFAOYSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Triethylsilyloxyundec-10-ene
CID 568575
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
1-Triisopropylsilyloxy-10-undecene
CID 535044
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
tert-butyl-[(2R)-2-ethenyloctoxy]-dimethylsilane
CID 11818090
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
tert-butyl-[(E)-11-[dimethyl(propyl)silyl]undec-10-enoxy]-dimethylsilane
CID 16680055
triethyl-[(3S,5S)-2,2,5-trimethyloct-7-en-3-yl]oxysilane
CID 44131621
tert-butyl-[(2S)-2-ethenyloctoxy]-dimethylsilane
CID 102331827
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane (CID 46185276) is tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane is C=CCC(C)(CC=C)CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane?
The InChIKey is QNWJYDXSNDJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-9-17-22(6,18-10-2)19-15-13-11-12-14-16-20-23-24(7,8)21(3,4)5/h9-10H,1-2,11-20H2,3-8H3.
What are the key properties of tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane?
tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane has a molecular weight of 352.68 g/mol, XLogP of 7.90, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane is sourced from PubChem (CID 46185276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).