tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane

C37H60O3SiSn — CID 10055503

IUPACtert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane
SMILESCCCC[Sn](C/C=C\O[C@H]1CCCO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C25H33O3Si.3C4H9.Sn/c1-5-18-26-23-17-12-19-27-24(23)20-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22;3*1-3-4-2;/h5-11,13-16,18,23-24H,1,12,17,19-20H2,2-4H3;3*1,3-4H2,2H3;/b18-5-;;;;/t23-,24+;;;;/m0..../s1
InChIKeyCFNSXPKDRKFAQQ-ZZJMUBJWSA-N
MW699.68 g/mol
LogP9.49
Rot. Bonds18

About tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane

tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane (PubChem CID 10055503) has the molecular formula C37H60O3SiSn and a molecular weight of 699.68 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane
PubChem CID10055503
Molecular FormulaC37H60O3SiSn
Molecular Weight699.68 g/mol
Exact Mass700.33
IUPAC Nametert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane
SMILESCCCC[Sn](C/C=C\O[C@H]1CCCO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C25H33O3Si.3C4H9.Sn/c1-5-18-26-23-17-12-19-27-24(23)20-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22;3*1-3-4-2;/h5-11,13-16,18,23-24H,1,12,17,19-20H2,2-4H3;3*1,3-4H2,2H3;/b18-5-;;;;/t23-,24+;;;;/m0..../s1
InChIKeyCFNSXPKDRKFAQQ-ZZJMUBJWSA-N
XLogP9.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.68
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane (CID 10055503) is tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane is CCCC[Sn](C/C=C\O[C@H]1CCCO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane?
The InChIKey is CFNSXPKDRKFAQQ-ZZJMUBJWSA-N. The full InChI is InChI=1S/C25H33O3Si.3C4H9.Sn/c1-5-18-26-23-17-12-19-27-24(23)20-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22;3*1-3-4-2;/h5-11,13-16,18,23-24H,1,12,17,19-20H2,2-4H3;3*1,3-4H2,2H3;/b18-5-;;;;/t23-,24+;;;;/m0..../s1.
What are the key properties of tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane has a molecular weight of 699.68 g/mol, XLogP of 9.49, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane is sourced from PubChem (CID 10055503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).