(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one

C29H60O2SiSn — CID 10603439

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;
InChIKeyUSKLIUOMHAYBFH-GMSJRHDLSA-N
MW587.59 g/mol
LogP10.25
Rot. Bonds21

About (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one

(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one (PubChem CID 10603439) has the molecular formula C29H60O2SiSn and a molecular weight of 587.59 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one
PubChem CID10603439
Molecular FormulaC29H60O2SiSn
Molecular Weight587.59 g/mol
Exact Mass588.34
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;
InChIKeyUSKLIUOMHAYBFH-GMSJRHDLSA-N
XLogP10.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.59
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one (CID 10603439) is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one is CCCC[Sn](CCCC)(CCCC)C(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one?
The InChIKey is USKLIUOMHAYBFH-GMSJRHDLSA-N. The full InChI is InChI=1S/C17H33O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one?
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one has a molecular weight of 587.59 g/mol, XLogP of 10.25, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one is sourced from PubChem (CID 10603439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).