(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol

C34H46OSn — CID 177408312

IUPAC(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
SMILESC/C(=C/CO)[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/3C10H13.C4H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-3-4-5;/h3*4-8H,1H2,2-3H3;3,5H,4H2,1H3;
InChIKeyXSHRBJZYFKMONX-UHFFFAOYSA-N
MW589.45 g/mol
LogP8.85
Rot. Bonds11

About (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol

(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol (PubChem CID 177408312) has the molecular formula C34H46OSn and a molecular weight of 589.45 g/mol. Its IUPAC name is (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
PubChem CID177408312
Molecular FormulaC34H46OSn
Molecular Weight589.45 g/mol
Exact Mass590.26
IUPAC Name(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
SMILESC/C(=C/CO)[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/3C10H13.C4H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-3-4-5;/h3*4-8H,1H2,2-3H3;3,5H,4H2,1H3;
InChIKeyXSHRBJZYFKMONX-UHFFFAOYSA-N
XLogP8.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.45
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-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 (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol?
The IUPAC name of (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol (CID 177408312) is (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol.
What is the SMILES notation for (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol?
The canonical SMILES for (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol is C/C(=C/CO)[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1.
What is the InChIKey of (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol?
The InChIKey is XSHRBJZYFKMONX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13.C4H7O.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-3-4-5;/h3*4-8H,1H2,2-3H3;3,5H,4H2,1H3;.
What are the key properties of (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol?
(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol has a molecular weight of 589.45 g/mol, XLogP of 8.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol is sourced from PubChem (CID 177408312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).