(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol

C27H58O2SiSn — CID 135053771

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol
SMILESCCCCCC(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h12,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyLILSLUWIDUCQNO-UHFFFAOYSA-N
MW561.56 g/mol
LogP9.26
Rot. Bonds18

About (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol

(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol (PubChem CID 135053771) has the molecular formula C27H58O2SiSn and a molecular weight of 561.56 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol
PubChem CID135053771
Molecular FormulaC27H58O2SiSn
Molecular Weight561.56 g/mol
Exact Mass562.32
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol
SMILESCCCCCC(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h12,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyLILSLUWIDUCQNO-UHFFFAOYSA-N
XLogP9.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.56
LogP ≤ 59.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol (CID 135053771) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol is CCCCCC(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol?
The InChIKey is LILSLUWIDUCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h12,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol has a molecular weight of 561.56 g/mol, XLogP of 9.26, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol is sourced from PubChem (CID 135053771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).