tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane

C32H48O3Si2 — CID 101204672

IUPACtert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESCOCC#C[C@H]1[C@H](c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H48O3Si2/c1-31(2,3)36(8,9)34-29-25-20-15-16-21-26(25)30(35-37(10,11)32(4,5)6)28(24-18-13-12-14-19-24)27(29)22-17-23-33-7/h12-16,18-21,27-30H,23H2,1-11H3/t27-,28-,29-,30+/m0/s1
InChIKeyVDVGWQOYBYSPBM-GCXHJFECSA-N
MW536.91 g/mol
LogP8.88
Rot. Bonds6

About tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane (PubChem CID 101204672) has the molecular formula C32H48O3Si2 and a molecular weight of 536.91 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane
PubChem CID101204672
Molecular FormulaC32H48O3Si2
Molecular Weight536.91 g/mol
Exact Mass536.31
IUPAC Nametert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESCOCC#C[C@H]1[C@H](c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H48O3Si2/c1-31(2,3)36(8,9)34-29-25-20-15-16-21-26(25)30(35-37(10,11)32(4,5)6)28(24-18-13-12-14-19-24)27(29)22-17-23-33-7/h12-16,18-21,27-30H,23H2,1-11H3/t27-,28-,29-,30+/m0/s1
InChIKeyVDVGWQOYBYSPBM-GCXHJFECSA-N
XLogP8.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.91
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
[(3aR,4S,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a-(3-methoxyprop-1-ynyl)-1,2,3,4,9,9a-hexahydrocyclopenta[b]naphthalen-9-yl]oxy-tert-butyl-dimethylsilane
CID 101204670
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 11327996
3-methoxyprop-1-ynyl-dimethyl-phenylsilane
CID 140704450
tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane
CID 56646883
(4aR,9S,9aS,10R)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-4a,9,9a,10-tetrahydroanthracene-1,4-dione
CID 101011974
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane
CID 25229218

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane (CID 101204672) is tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane is COCC#C[C@H]1[C@H](c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane?
The InChIKey is VDVGWQOYBYSPBM-GCXHJFECSA-N. The full InChI is InChI=1S/C32H48O3Si2/c1-31(2,3)36(8,9)34-29-25-20-15-16-21-26(25)30(35-37(10,11)32(4,5)6)28(24-18-13-12-14-19-24)27(29)22-17-23-33-7/h12-16,18-21,27-30H,23H2,1-11H3/t27-,28-,29-,30+/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane has a molecular weight of 536.91 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxyprop-1-ynyl)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101204672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).