tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane

C19H30O3Si — CID 59913497

IUPACtert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O3Si/c1-8-17(22-23(6,7)19(2,3)4)13-14-21-15-16-9-11-18(20-5)12-10-16/h1,9-12,17H,13-15H2,2-7H3/t17-/m1/s1
InChIKeyRJPOZKHLPVIRIV-QGZVFWFLSA-N
MW334.53 g/mol
LogP4.63
Rot. Bonds8

About tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 59913497) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
PubChem CID59913497
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Nametert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O3Si/c1-8-17(22-23(6,7)19(2,3)4)13-14-21-15-16-9-11-18(20-5)12-10-16/h1,9-12,17H,13-15H2,2-7H3/t17-/m1/s1
InChIKeyRJPOZKHLPVIRIV-QGZVFWFLSA-N
XLogP4.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.63
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
CID 15814219
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
CID 11013916
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
methyl (3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,2,4-trimethylheptanoate
CID 52951078
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-3-methylhex-5-yn-1-ol
CID 132530227
[(E,3R)-7-bromo-1-[(4-methoxyphenyl)methoxy]-5-methylhept-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 59051507
(E)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4-methylidenehept-2-enal
CID 11703821
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane (CID 59913497) is tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane is C#C[C@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is RJPOZKHLPVIRIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-8-17(22-23(6,7)19(2,3)4)13-14-21-15-16-9-11-18(20-5)12-10-16/h1,9-12,17H,13-15H2,2-7H3/t17-/m1/s1.
What are the key properties of tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 334.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 59913497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).