tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane

C20H28O2Si — CID 10958433

IUPACtert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane
SMILESCC#CC#CC#C/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H28O2Si/c1-7-8-9-10-11-12-13-15-18-19(16-14-17-21-18)22-23(5,6)20(2,3)4/h13,15,18-19H,14,16-17H2,1-6H3/b15-13+/t18-,19+/m0/s1
InChIKeyOJDAKKAUHUGZDV-ZTIKBKQBSA-N
MW328.53 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane (PubChem CID 10958433) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane
PubChem CID10958433
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Nametert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane
SMILESCC#CC#CC#C/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H28O2Si/c1-7-8-9-10-11-12-13-15-18-19(16-14-17-21-18)22-23(5,6)20(2,3)4/h13,15,18-19H,14,16-17H2,1-6H3/b15-13+/t18-,19+/m0/s1
InChIKeyOJDAKKAUHUGZDV-ZTIKBKQBSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 11613803
triethyl-[(3R,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 134939457
tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
CID 135077331
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane (CID 10958433) is tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane is CC#CC#CC#C/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane?
The InChIKey is OJDAKKAUHUGZDV-ZTIKBKQBSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-7-8-9-10-11-12-13-15-18-19(16-14-17-21-18)22-23(5,6)20(2,3)4/h13,15,18-19H,14,16-17H2,1-6H3/b15-13+/t18-,19+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane has a molecular weight of 328.53 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane is sourced from PubChem (CID 10958433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).