(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol

C11H23Cl3O2SiSn — CID 10646755

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C/C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C11H23O2Si.3ClH.Sn/c1-7-8-10(12)9-13-14(5,6)11(2,3)4;;;;/h7-8,10,12H,1,9H2,2-6H3;3*1H;/q;;;;+3/p-3/b8-7+;;;;/t10-;;;;/m0..../s1
InChIKeyQFETUVGXSCNVQL-QVJNFKDISA-K
MW440.46 g/mol
LogP4.58
Rot. Bonds6

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol (PubChem CID 10646755) has the molecular formula C11H23Cl3O2SiSn and a molecular weight of 440.46 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
PubChem CID10646755
Molecular FormulaC11H23Cl3O2SiSn
Molecular Weight440.46 g/mol
Exact Mass439.96
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C/C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C11H23O2Si.3ClH.Sn/c1-7-8-10(12)9-13-14(5,6)11(2,3)4;;;;/h7-8,10,12H,1,9H2,2-6H3;3*1H;/q;;;;+3/p-3/b8-7+;;;;/t10-;;;;/m0..../s1
InChIKeyQFETUVGXSCNVQL-QVJNFKDISA-K
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol (CID 10646755) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C/C[Sn](Cl)(Cl)Cl.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol?
The InChIKey is QFETUVGXSCNVQL-QVJNFKDISA-K. The full InChI is InChI=1S/C11H23O2Si.3ClH.Sn/c1-7-8-10(12)9-13-14(5,6)11(2,3)4;;;;/h7-8,10,12H,1,9H2,2-6H3;3*1H;/q;;;;+3/p-3/b8-7+;;;;/t10-;;;;/m0..../s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol has a molecular weight of 440.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol is sourced from PubChem (CID 10646755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).