2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane

C24H54O3Sn3 — CID 71360609

IUPAC2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
SMILESCCCC[Sn]1(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O1
InChIInChI=1S/6C4H9.3O.3Sn/c6*1-3-4-2;;;;;;/h6*1,3-4H2,2H3;;;;;;
InChIKeyCSYHBUCHKIUCDH-UHFFFAOYSA-N
MW746.83 g/mol
LogP9.18
Rot. Bonds18

About 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane

2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane (PubChem CID 71360609) has the molecular formula C24H54O3Sn3 and a molecular weight of 746.83 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
PubChem CID71360609
Molecular FormulaC24H54O3Sn3
Molecular Weight746.83 g/mol
Exact Mass750.11
IUPAC Name2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
SMILESCCCC[Sn]1(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O1
InChIInChI=1S/6C4H9.3O.3Sn/c6*1-3-4-2;;;;;;/h6*1,3-4H2,2H3;;;;;;
InChIKeyCSYHBUCHKIUCDH-UHFFFAOYSA-N
XLogP9.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
CID 16703205
3,3-dibutyl-5-ethyl-5-methyl-1,2,4,3-trioxastannolane
CID 16683329
(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
CID 59297314
2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
CID 66811542
3,3-dibutyl-6,7,8,9-tetrafluoro-2,4,3-benzodioxastannepine-1,5-dione
CID 16707069
3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
CID 16688813
pentane;tetramethylsilane
CID 173025791
(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
CID 124629679
17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen
CID 158460487
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane?
The IUPAC name of 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane (CID 71360609) is 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane.
What is the SMILES notation for 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane?
The canonical SMILES for 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane is CCCC[Sn]1(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O1.
What is the InChIKey of 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane?
The InChIKey is CSYHBUCHKIUCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9.3O.3Sn/c6*1-3-4-2;;;;;;/h6*1,3-4H2,2H3;;;;;;.
What are the key properties of 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane?
2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane has a molecular weight of 746.83 g/mol, XLogP of 9.18, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane is sourced from PubChem (CID 71360609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).