tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane

C17H32O2Si — CID 11702102

IUPACtert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane
SMILESCC/C=C\C/C=C\C[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-8-9-10-11-12-13-15-16(19-15)14-18-20(5,6)17(2,3)4/h8-9,11-12,15-16H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-,16+/m0/s1
InChIKeyHJIONWBYVXDROK-UZHIIQRTSA-N
MW296.53 g/mol
LogP5.08
Rot. Bonds8

About tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane (PubChem CID 11702102) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane
PubChem CID11702102
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane
SMILESCC/C=C\C/C=C\C[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-8-9-10-11-12-13-15-16(19-15)14-18-20(5,6)17(2,3)4/h8-9,11-12,15-16H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-,16+/m0/s1
InChIKeyHJIONWBYVXDROK-UZHIIQRTSA-N
XLogP5.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
CID 138969960
tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane
CID 12019918
[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
CID 89050163
[(3S)-1-butoxyhex-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 89568387
Tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
CID 90685404
Triethoxy-[2-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
CID 149813263

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane (CID 11702102) is tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane is CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane?
The InChIKey is HJIONWBYVXDROK-UZHIIQRTSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-8-9-10-11-12-13-15-16(19-15)14-18-20(5,6)17(2,3)4/h8-9,11-12,15-16H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane has a molecular weight of 296.53 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).