tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane

C23H42O3Si — CID 68648592

IUPACtert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
SMILESCC(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)COCOCc1ccccc1
InChIInChI=1S/C23H42O3Si/c1-20(17-24-19-25-18-21-14-10-9-11-15-21)13-12-16-23(5,6)26-27(7,8)22(2,3)4/h9-11,14-15,20H,12-13,16-19H2,1-8H3
InChIKeyZAEAUFQKSSYDCJ-UHFFFAOYSA-N
MW394.67 g/mol
LogP6.78
Rot. Bonds12

About tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane

tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane (PubChem CID 68648592) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
PubChem CID68648592
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Nametert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
SMILESCC(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)COCOCc1ccccc1
InChIInChI=1S/C23H42O3Si/c1-20(17-24-19-25-18-21-14-10-9-11-15-21)13-12-16-23(5,6)26-27(7,8)22(2,3)4/h9-11,14-15,20H,12-13,16-19H2,1-8H3
InChIKeyZAEAUFQKSSYDCJ-UHFFFAOYSA-N
XLogP6.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.78
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'}

Analyze tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane 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-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
CID 11531865
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
CID 11144701
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
(2S,4R)-2,4-dimethyl-5-(phenylmethoxymethoxy)pentanal
CID 11139553
tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
CID 10831054
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
CID 11348751
(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
CID 101190578
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane (CID 68648592) is tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane is CC(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)COCOCc1ccccc1.
What is the InChIKey of tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane?
The InChIKey is ZAEAUFQKSSYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-20(17-24-19-25-18-21-14-10-9-11-15-21)13-12-16-23(5,6)26-27(7,8)22(2,3)4/h9-11,14-15,20H,12-13,16-19H2,1-8H3.
What are the key properties of tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane?
tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane has a molecular weight of 394.67 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 68648592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).