tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane

C21H38OSi — CID 134955294

IUPACtert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane
SMILESCCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C21H38OSi/c1-8-10-19(17-20-14-12-18(2)13-15-20)11-9-16-22-23(6,7)21(3,4)5/h12-15,19H,8-11,16-17H2,1-7H3
InChIKeyHSHLRVKIUYDIGA-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.76
Rot. Bonds9

About tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane

tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane (PubChem CID 134955294) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane
PubChem CID134955294
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane
SMILESCCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C21H38OSi/c1-8-10-19(17-20-14-12-18(2)13-15-20)11-9-16-22-23(6,7)21(3,4)5/h12-15,19H,8-11,16-17H2,1-7H3
InChIKeyHSHLRVKIUYDIGA-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.76
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'}

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Related Compounds

[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylpentyl] 4-methylbenzenesulfonate
CID 140752000
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
CID 134955292
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
1-[2-(chloromethyl)-6-methoxyhexyl]-4-methylbenzene
CID 104650668
1-[2-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]butyl]-4-methylbenzene
CID 112592406

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane (CID 134955294) is tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane is CCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane?
The InChIKey is HSHLRVKIUYDIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-8-10-19(17-20-14-12-18(2)13-15-20)11-9-16-22-23(6,7)21(3,4)5/h12-15,19H,8-11,16-17H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane?
tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane has a molecular weight of 334.62 g/mol, XLogP of 6.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane is sourced from PubChem (CID 134955294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).