tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane

C18H34O2Si2 — CID 11823968

IUPACtert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(COCC#C[Si](C)(C)C)C1
InChIInChI=1S/C18H34O2Si2/c1-18(2,3)22(7,8)20-17-11-10-16(14-17)15-19-12-9-13-21(4,5)6/h10,17H,11-12,14-15H2,1-8H3/t17-/m1/s1
InChIKeyNKSMVIGUODQXKV-QGZVFWFLSA-N
MW338.64 g/mol
LogP4.99
Rot. Bonds5

About tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane (PubChem CID 11823968) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane
PubChem CID11823968
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Nametert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(COCC#C[Si](C)(C)C)C1
InChIInChI=1S/C18H34O2Si2/c1-18(2,3)22(7,8)20-17-11-10-16(14-17)15-19-12-9-13-21(4,5)6/h10,17H,11-12,14-15H2,1-8H3/t17-/m1/s1
InChIKeyNKSMVIGUODQXKV-QGZVFWFLSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11653175
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
trimethyl-[2-methylidene-5-[(2R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 89242414
tert-butyl-dimethyl-[(1R)-2-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxysilane
CID 10882321
tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane
CID 10958433
tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane
CID 11055638
3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane
CID 11070687
[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate
CID 11350818
Tert-butyl-dimethyl-[3-(4-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)propoxy]silane
CID 11414876
tert-butyl-[[(2S,5R)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane (CID 11823968) is tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC=C(COCC#C[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane?
The InChIKey is NKSMVIGUODQXKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-18(2,3)22(7,8)20-17-11-10-16(14-17)15-19-12-9-13-21(4,5)6/h10,17H,11-12,14-15H2,1-8H3/t17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane has a molecular weight of 338.64 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-3-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-3-en-1-yl]oxysilane is sourced from PubChem (CID 11823968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).