(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one

C22H46O2SiSn — CID 11488700

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
SMILESCCCC[Sn](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-7-9(11)8-12-13(5,6)10(2,3)4;3*1-3-4-2;/h1,7H,8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyKNEYJGVBECGDBZ-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.52
Rot. Bonds14

About (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one

(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one (PubChem CID 11488700) has the molecular formula C22H46O2SiSn and a molecular weight of 489.41 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
PubChem CID11488700
Molecular FormulaC22H46O2SiSn
Molecular Weight489.41 g/mol
Exact Mass490.23
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
SMILESCCCC[Sn](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-7-9(11)8-12-13(5,6)10(2,3)4;3*1-3-4-2;/h1,7H,8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyKNEYJGVBECGDBZ-UHFFFAOYSA-N
XLogP7.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
CID 10700411
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-ol
CID 134947532
[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 131741561
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 136590573
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
CID 101151250
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one (CID 11488700) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one is CCCC[Sn](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one?
The InChIKey is KNEYJGVBECGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2Si.3C4H9.Sn/c1-7-9(11)8-12-13(5,6)10(2,3)4;3*1-3-4-2;/h1,7H,8H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one has a molecular weight of 489.41 g/mol, XLogP of 7.52, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one is sourced from PubChem (CID 11488700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).