triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane

C24H44O3SiSn — CID 177440964

IUPACtriethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=C[C@H]([C@@H]2CC[C@@H](C(=C)[Sn](C)(C)C)O2)O1
InChIInChI=1S/C21H35O3Si.3CH3.Sn/c1-6-12-21(24-25(8-3,9-4)10-5)19-14-11-13-18(23-19)20-16-15-17(7-2)22-20;;;;/h6,11,13,17-21H,1-2,8-10,12,14-16H2,3-5H3;3*1H3;/t17-,18-,19+,20+,21+;;;;/m1..../s1
InChIKeyPXXSHTSFMYTMRX-DNRVBMAGSA-N
MW527.41 g/mol
LogP6.65
Rot. Bonds11

About triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane

triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane (PubChem CID 177440964) has the molecular formula C24H44O3SiSn and a molecular weight of 527.41 g/mol. Its IUPAC name is triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane
PubChem CID177440964
Molecular FormulaC24H44O3SiSn
Molecular Weight527.41 g/mol
Exact Mass528.21
IUPAC Nametriethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=C[C@H]([C@@H]2CC[C@@H](C(=C)[Sn](C)(C)C)O2)O1
InChIInChI=1S/C21H35O3Si.3CH3.Sn/c1-6-12-21(24-25(8-3,9-4)10-5)19-14-11-13-18(23-19)20-16-15-17(7-2)22-20;;;;/h6,11,13,17-21H,1-2,8-10,12,14-16H2,3-5H3;3*1H3;/t17-,18-,19+,20+,21+;;;;/m1..../s1
InChIKeyPXXSHTSFMYTMRX-DNRVBMAGSA-N
XLogP6.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.41
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane?
The IUPAC name of triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane (CID 177440964) is triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane.
What is the SMILES notation for triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane?
The canonical SMILES for triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane is C=CC[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=C[C@H]([C@@H]2CC[C@@H](C(=C)[Sn](C)(C)C)O2)O1.
What is the InChIKey of triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane?
The InChIKey is PXXSHTSFMYTMRX-DNRVBMAGSA-N. The full InChI is InChI=1S/C21H35O3Si.3CH3.Sn/c1-6-12-21(24-25(8-3,9-4)10-5)19-14-11-13-18(23-19)20-16-15-17(7-2)22-20;;;;/h6,11,13,17-21H,1-2,8-10,12,14-16H2,3-5H3;3*1H3;/t17-,18-,19+,20+,21+;;;;/m1..../s1.
What are the key properties of triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane?
triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane has a molecular weight of 527.41 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane is sourced from PubChem (CID 177440964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).