tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane

C25H44O3Si — CID 11531865

IUPACtert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
SMILESC=C(C[C@@H](C)COCOCc1ccccc1)C[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O3Si/c1-9-13-24(28-29(7,8)25(4,5)6)17-21(2)16-22(3)18-26-20-27-19-23-14-11-10-12-15-23/h10-12,14-15,22,24H,2,9,13,16-20H2,1,3-8H3/t22-,24-/m1/s1
InChIKeyXZWKLDUXQJJNLM-ISKFKSNPSA-N
MW420.71 g/mol
LogP7.34
Rot. Bonds14

About tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane

tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane (PubChem CID 11531865) has the molecular formula C25H44O3Si and a molecular weight of 420.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
PubChem CID11531865
Molecular FormulaC25H44O3Si
Molecular Weight420.71 g/mol
Exact Mass420.31
IUPAC Nametert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
SMILESC=C(C[C@@H](C)COCOCc1ccccc1)C[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O3Si/c1-9-13-24(28-29(7,8)25(4,5)6)17-21(2)16-22(3)18-26-20-27-19-23-14-11-10-12-15-23/h10-12,14-15,22,24H,2,9,13,16-20H2,1,3-8H3/t22-,24-/m1/s1
InChIKeyXZWKLDUXQJJNLM-ISKFKSNPSA-N
XLogP7.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 57.34
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'}

Analyze tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane with MolForge

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Related Compounds

[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate
CID 53344420
tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
CID 68648592
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
(2S,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-3-methylidene-1-phenylmethoxynonan-5-ol
CID 101258878
tert-butyl-[(3R,4S,5S,9S,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethyl-7-methylidene-5,9-bis[(1S)-1-phenylethoxy]tridecan-3-yl]oxy-dimethylsilane
CID 102287789
(3S,5R,7S,9S,11S)-9-[tert-butyl(dimethyl)silyl]oxy-1,13-bis(phenylmethoxy)-3,11-bis(triethylsilyloxy)tridecane-5,7-diol
CID 102445359
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-6-phenylmethoxyhexan-2-one
CID 71514831
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
CID 11144701

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane (CID 11531865) is tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane is C=C(C[C@@H](C)COCOCc1ccccc1)C[C@@H](CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane?
The InChIKey is XZWKLDUXQJJNLM-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H44O3Si/c1-9-13-24(28-29(7,8)25(4,5)6)17-21(2)16-22(3)18-26-20-27-19-23-14-11-10-12-15-23/h10-12,14-15,22,24H,2,9,13,16-20H2,1,3-8H3/t22-,24-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane?
tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane has a molecular weight of 420.71 g/mol, XLogP of 7.34, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane is sourced from PubChem (CID 11531865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).