(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol

C24H52O2SiSn — CID 10815797

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25O2Si.3C4H9.Sn/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;3*1-3-4-2;/h6,8,10,13H,7,9,11H2,1-5H3;3*1,3-4H2,2H3;/b8-6+;;;;
InChIKeyGYQMOCFPAZQTDT-UFCFYSFLSA-N
MW519.48 g/mol
LogP8.09
Rot. Bonds16

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol (PubChem CID 10815797) has the molecular formula C24H52O2SiSn and a molecular weight of 519.48 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
PubChem CID10815797
Molecular FormulaC24H52O2SiSn
Molecular Weight519.48 g/mol
Exact Mass520.28
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25O2Si.3C4H9.Sn/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;3*1-3-4-2;/h6,8,10,13H,7,9,11H2,1-5H3;3*1,3-4H2,2H3;/b8-6+;;;;
InChIKeyGYQMOCFPAZQTDT-UFCFYSFLSA-N
XLogP8.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.48
LogP ≤ 58.09
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
CID 10555379
(E)-1-tributylstannylhept-2-en-1-ol
CID 14261920
(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
CID 10853935
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
[(Z,5S,6S)-6-acetyloxy-12-[tert-butyl(dimethyl)silyl]oxydodec-7-en-5-yl] acetate
CID 10573856
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
CID 23240903

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol (CID 10815797) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol?
The InChIKey is GYQMOCFPAZQTDT-UFCFYSFLSA-N. The full InChI is InChI=1S/C12H25O2Si.3C4H9.Sn/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;3*1-3-4-2;/h6,8,10,13H,7,9,11H2,1-5H3;3*1,3-4H2,2H3;/b8-6+;;;;.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol has a molecular weight of 519.48 g/mol, XLogP of 8.09, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol is sourced from PubChem (CID 10815797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).