(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol

C40H70OSn2 — CID 10509574

IUPAC(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C([C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H16O.6C4H9.2Sn/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15;6*1-3-4-2;;/h1-11,13,16-17H,12H2;6*1,3-4H2,2H3;;/t13-,16-;;;;;;;;/m0......../s1
InChIKeyZMTJNTJJZVRSOX-SSUKNVAISA-N
MW804.42 g/mol
LogP13.19
Rot. Bonds25

About (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol

(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol (PubChem CID 10509574) has the molecular formula C40H70OSn2 and a molecular weight of 804.42 g/mol. Its IUPAC name is (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol
PubChem CID10509574
Molecular FormulaC40H70OSn2
Molecular Weight804.42 g/mol
Exact Mass806.35
IUPAC Name(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C([C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H16O.6C4H9.2Sn/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15;6*1-3-4-2;;/h1-11,13,16-17H,12H2;6*1,3-4H2,2H3;;/t13-,16-;;;;;;;;/m0......../s1
InChIKeyZMTJNTJJZVRSOX-SSUKNVAISA-N
XLogP13.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.42
LogP ≤ 513.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-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 (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol?
The IUPAC name of (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol (CID 10509574) is (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol.
What is the SMILES notation for (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol?
The canonical SMILES for (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol is CCCC[Sn](CCCC)(CCCC)C([C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol?
The InChIKey is ZMTJNTJJZVRSOX-SSUKNVAISA-N. The full InChI is InChI=1S/C16H16O.6C4H9.2Sn/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15;6*1-3-4-2;;/h1-11,13,16-17H,12H2;6*1,3-4H2,2H3;;/t13-,16-;;;;;;;;/m0......../s1.
What are the key properties of (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol?
(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol has a molecular weight of 804.42 g/mol, XLogP of 13.19, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol is sourced from PubChem (CID 10509574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).