tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane

C26H54O2SiSn — CID 138969960

IUPACtert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
SMILESCCCC[Sn](/C=C/[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H27O2Si.3C4H9.Sn/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5;3*1-3-4-2;/h1,9,11-12H,10H2,2-8H3;3*1,3-4H2,2H3;/t11-,12-,14-;;;;/m0..../s1
InChIKeyFHWHDEBXFSDSPI-QGHSGEOSSA-N
MW545.51 g/mol
LogP8.75
Rot. Bonds15

About tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane (PubChem CID 138969960) has the molecular formula C26H54O2SiSn and a molecular weight of 545.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
PubChem CID138969960
Molecular FormulaC26H54O2SiSn
Molecular Weight545.51 g/mol
Exact Mass546.29
IUPAC Nametert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
SMILESCCCC[Sn](/C=C/[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H27O2Si.3C4H9.Sn/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5;3*1-3-4-2;/h1,9,11-12H,10H2,2-8H3;3*1,3-4H2,2H3;/t11-,12-,14-;;;;/m0..../s1
InChIKeyFHWHDEBXFSDSPI-QGHSGEOSSA-N
XLogP8.75
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.51
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
CID 11700228
[(2R,3R)-1-butoxy-3-methoxy-3-methylhept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 89737080
trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane
CID 10944221
[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane
CID 11058771
tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane
CID 11702102
tert-butyl-dimethyl-[[(2R,3R)-3-prop-2-enyloxiran-2-yl]methoxy]silane
CID 101583268
ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
CID 102239080
ditert-butyl-[(E)-hex-1-enyl]-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]silane
CID 102239081

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane (CID 138969960) is tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane is CCCC[Sn](/C=C/[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane?
The InChIKey is FHWHDEBXFSDSPI-QGHSGEOSSA-N. The full InChI is InChI=1S/C14H27O2Si.3C4H9.Sn/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5;3*1-3-4-2;/h1,9,11-12H,10H2,2-8H3;3*1,3-4H2,2H3;/t11-,12-,14-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane has a molecular weight of 545.51 g/mol, XLogP of 8.75, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 138969960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).