tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane

C21H36O3Si — CID 11793178

IUPACtert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-17(2)20(24-25(7,8)21(3,4)5)14-15-23-16-18-10-12-19(22-6)13-11-18/h9-13,17,20H,1,14-16H2,2-8H3/t17-,20+/m1/s1
InChIKeyRTDWUPRYFGBFPP-XLIONFOSSA-N
MW364.60 g/mol
LogP5.81
Rot. Bonds10

About tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 11793178) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID11793178
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Nametert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-17(2)20(24-25(7,8)21(3,4)5)14-15-23-16-18-10-12-19(22-6)13-11-18/h9-13,17,20H,1,14-16H2,2-8H3/t17-,20+/m1/s1
InChIKeyRTDWUPRYFGBFPP-XLIONFOSSA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.81
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane (CID 11793178) is tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane is C=C[C@@H](C)[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is RTDWUPRYFGBFPP-XLIONFOSSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-9-17(2)20(24-25(7,8)21(3,4)5)14-15-23-16-18-10-12-19(22-6)13-11-18/h9-13,17,20H,1,14-16H2,2-8H3/t17-,20+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 364.60 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11793178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).