tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate

C104H204O8Sn — CID 141476577

IUPACtris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
SMILESCCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)O[Sn](OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)(OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/4C26H52O2.Sn/c4*1-7-13-16-22(10-4)19-26(25(27)28,20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3,(H,27,28);/q;;;;+4/p-4
InChIKeyDXXHKKCQKXUNIK-UHFFFAOYSA-J
MW1701.48 g/mol
LogP34.82
Rot. Bonds80

About tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate

tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate (PubChem CID 141476577) has the molecular formula C104H204O8Sn and a molecular weight of 1701.48 g/mol. Its IUPAC name is tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate.

Molecular Properties

Compound Nametris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
PubChem CID141476577
Molecular FormulaC104H204O8Sn
Molecular Weight1701.48 g/mol
Exact Mass1701.46
IUPAC Nametris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
SMILESCCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)O[Sn](OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)(OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/4C26H52O2.Sn/c4*1-7-13-16-22(10-4)19-26(25(27)28,20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3,(H,27,28);/q;;;;+4/p-4
InChIKeyDXXHKKCQKXUNIK-UHFFFAOYSA-J
XLogP34.82
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds80
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001701.48
LogP ≤ 534.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate 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-ethylhexyl)-2-methylpropanedioyl dichloride
CID 59838559
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
2,2-bis(2-ethylhexyl)icosanedioic acid
CID 87117283
ethyl 2-ethenyl-4-ethyl-2-methyloctanoate
CID 102638961
disodium;2,2-bis(2-ethylhexyl)decanedioate
CID 129218641
(6-ethyl-4-methyldecan-4-yl) acetate
CID 87430361
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
dicyclohexyl 2-ethyl-2-(2-ethylhexyl)butanedioate
CID 137405290
zinc bis(3-ethylheptanoate)
CID 159696376
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
2-ethylhexyl 2-aminohexanoate
CID 61303871

Frequently Asked Questions

What is the IUPAC name of tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate?
The IUPAC name of tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate (CID 141476577) is tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate.
What is the SMILES notation for tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate?
The canonical SMILES for tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate is CCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)O[Sn](OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)(OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate?
The InChIKey is DXXHKKCQKXUNIK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C26H52O2.Sn/c4*1-7-13-16-22(10-4)19-26(25(27)28,20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3,(H,27,28);/q;;;;+4/p-4.
What are the key properties of tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate?
tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate has a molecular weight of 1701.48 g/mol, XLogP of 34.82, 80 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate is sourced from PubChem (CID 141476577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).