tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane

C19H32O2Si — CID 102363080

IUPACtert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](CCc1ccccc1COC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-8-18(21-22(6,7)19(2,3)4)14-13-16-11-9-10-12-17(16)15-20-5/h8-12,18H,1,13-15H2,2-7H3/t18-/m1/s1
InChIKeyXGLQEBHNIIQNIA-GOSISDBHSA-N
MW320.55 g/mol
LogP5.34
Rot. Bonds8

About tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 102363080) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID102363080
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](CCc1ccccc1COC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-8-18(21-22(6,7)19(2,3)4)14-13-16-11-9-10-12-17(16)15-20-5/h8-12,18H,1,13-15H2,2-7H3/t18-/m1/s1
InChIKeyXGLQEBHNIIQNIA-GOSISDBHSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
[2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhept-6-enyl]phenyl]methanol
CID 102186252
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
CID 10065434
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane (CID 102363080) is tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane is C=C[C@H](CCc1ccccc1COC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is XGLQEBHNIIQNIA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-18(21-22(6,7)19(2,3)4)14-13-16-11-9-10-12-17(16)15-20-5/h8-12,18H,1,13-15H2,2-7H3/t18-/m1/s1.
What are the key properties of tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102363080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).