tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane

C26H56O3SiSn — CID 11786335

IUPACtert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C(/C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC
InChIInChI=1S/C14H29O3Si.3C4H9.Sn/c1-12(2)9-13(16-11-15-6)10-17-18(7,8)14(3,4)5;3*1-3-4-2;/h1,13H,9-11H2,2-8H3;3*1,3-4H2,2H3;/t13-;;;;/m0..../s1
InChIKeyWYURMGXKQVOTPA-AHJYMZSGSA-N
MW563.53 g/mol
LogP8.72
Rot. Bonds18

About tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane

tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane (PubChem CID 11786335) has the molecular formula C26H56O3SiSn and a molecular weight of 563.53 g/mol. Its IUPAC name is tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane
PubChem CID11786335
Molecular FormulaC26H56O3SiSn
Molecular Weight563.53 g/mol
Exact Mass564.30
IUPAC Nametert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C(/C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC
InChIInChI=1S/C14H29O3Si.3C4H9.Sn/c1-12(2)9-13(16-11-15-6)10-17-18(7,8)14(3,4)5;3*1-3-4-2;/h1,13H,9-11H2,2-8H3;3*1,3-4H2,2H3;/t13-;;;;/m0..../s1
InChIKeyWYURMGXKQVOTPA-AHJYMZSGSA-N
XLogP8.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.53
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane (CID 11786335) is tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane is CCCC[Sn](/C=C(/C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The InChIKey is WYURMGXKQVOTPA-AHJYMZSGSA-N. The full InChI is InChI=1S/C14H29O3Si.3C4H9.Sn/c1-12(2)9-13(16-11-15-6)10-17-18(7,8)14(3,4)5;3*1-3-4-2;/h1,13H,9-11H2,2-8H3;3*1,3-4H2,2H3;/t13-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane has a molecular weight of 563.53 g/mol, XLogP of 8.72, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11786335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).