tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane

C19H34O3Si — CID 15609449

IUPACtert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane
SMILESC#CCO[C@]1(COC(C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-10-13-20-19(15-21-17(2,3)4)12-11-16(14-19)22-23(8,9)18(5,6)7/h1,11-12,16H,13-15H2,2-9H3/t16-,19+/m0/s1
InChIKeyOGQJTOBDTNOWQG-QFBILLFUSA-N
MW338.56 g/mol
LogP4.54
Rot. Bonds6

About tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane (PubChem CID 15609449) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane
PubChem CID15609449
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nametert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane
SMILESC#CCO[C@]1(COC(C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-10-13-20-19(15-21-17(2,3)4)12-11-16(14-19)22-23(8,9)18(5,6)7/h1,11-12,16H,13-15H2,2-9H3/t16-,19+/m0/s1
InChIKeyOGQJTOBDTNOWQG-QFBILLFUSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
2,2,4-Trimethyl-3-[2-dimethyl(tert-butyl)silyloxyethyl]-6-ethenyl-5,6-dihydropyrane
CID 554486
[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 10897010
tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
CID 11758727
tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane
CID 12065429
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-2,5-dihydrofuran-2-yl]but-3-enoxy]-dimethylsilane
CID 12065430
[(8E,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 42616105
(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol
CID 101115183
[(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 101693454

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane (CID 15609449) is tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane is C#CCO[C@]1(COC(C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane?
The InChIKey is OGQJTOBDTNOWQG-QFBILLFUSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-10-13-20-19(15-21-17(2,3)4)12-11-16(14-19)22-23(8,9)18(5,6)7/h1,11-12,16H,13-15H2,2-9H3/t16-,19+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane has a molecular weight of 338.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 15609449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).