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

C22H48O2SiSn — CID 11294788

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C10H21O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h7,11H,8-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyJFYPNOSEDUTMNN-UHFFFAOYSA-N
MW491.42 g/mol
LogP7.32
Rot. Bonds14

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

(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol (PubChem CID 11294788) has the molecular formula C22H48O2SiSn and a molecular weight of 491.42 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol
PubChem CID11294788
Molecular FormulaC22H48O2SiSn
Molecular Weight491.42 g/mol
Exact Mass492.24
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C10H21O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h7,11H,8-9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyJFYPNOSEDUTMNN-UHFFFAOYSA-N
XLogP7.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol (CID 11294788) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)/C(=C/CO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol?
The InChIKey is JFYPNOSEDUTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h7,11H,8-9H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol has a molecular weight of 491.42 g/mol, XLogP of 7.32, 14 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-tributylstannylbut-2-en-1-ol is sourced from PubChem (CID 11294788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).