(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol

C36H76O2SiSn2 — CID 177475405

IUPAC(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
SMILESCCCC[Sn](/C=C/[C@H](O)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H22O2Si.6C4H9.2Sn/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5;6*1-3-4-2;;/h1-2,8-11,13H,3-7H3;6*1,3-4H2,2H3;;/t10-,11+;;;;;;;;/m0......../s1
InChIKeyPIYBVOWALQKRDM-CTBRWSDOSA-N
MW806.51 g/mol
LogP12.63
Rot. Bonds25

About (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol

(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol (PubChem CID 177475405) has the molecular formula C36H76O2SiSn2 and a molecular weight of 806.51 g/mol. Its IUPAC name is (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
PubChem CID177475405
Molecular FormulaC36H76O2SiSn2
Molecular Weight806.51 g/mol
Exact Mass808.37
IUPAC Name(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
SMILESCCCC[Sn](/C=C/[C@H](O)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H22O2Si.6C4H9.2Sn/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5;6*1-3-4-2;;/h1-2,8-11,13H,3-7H3;6*1,3-4H2,2H3;;/t10-,11+;;;;;;;;/m0......../s1
InChIKeyPIYBVOWALQKRDM-CTBRWSDOSA-N
XLogP12.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.51
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol (CID 177475405) is (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol is CCCC[Sn](/C=C/[C@H](O)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol?
The InChIKey is PIYBVOWALQKRDM-CTBRWSDOSA-N. The full InChI is InChI=1S/C12H22O2Si.6C4H9.2Sn/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5;6*1-3-4-2;;/h1-2,8-11,13H,3-7H3;6*1,3-4H2,2H3;;/t10-,11+;;;;;;;;/m0......../s1.
What are the key properties of (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol?
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol has a molecular weight of 806.51 g/mol, XLogP of 12.63, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 177475405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).