[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate

C41H86O5Sn2 — CID 141184710

IUPAC[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate
SMILESCCCCCCCC[Sn](CCCCCCCC)(OCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)OCCCC
InChIInChI=1S/4C8H17.C5H10O3.C4H9O.O.2Sn/c4*1-3-5-7-8-6-4-2;1-2-3-4-8-5(6)7;1-2-3-4-5;;;/h4*1,3-8H2,2H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;;;/q;;;;;-1;;2*+1/p-1
InChIKeyCPCNDVMVAHPZBM-UHFFFAOYSA-M
MW896.56 g/mol
LogP15.10
Rot. Bonds38

About [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate

[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate (PubChem CID 141184710) has the molecular formula C41H86O5Sn2 and a molecular weight of 896.56 g/mol. Its IUPAC name is [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate.

Molecular Properties

Compound Name[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate
PubChem CID141184710
Molecular FormulaC41H86O5Sn2
Molecular Weight896.56 g/mol
Exact Mass898.45
IUPAC Name[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate
SMILESCCCCCCCC[Sn](CCCCCCCC)(OCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)OCCCC
InChIInChI=1S/4C8H17.C5H10O3.C4H9O.O.2Sn/c4*1-3-5-7-8-6-4-2;1-2-3-4-8-5(6)7;1-2-3-4-5;;;/h4*1,3-8H2,2H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;;;/q;;;;;-1;;2*+1/p-1
InChIKeyCPCNDVMVAHPZBM-UHFFFAOYSA-M
XLogP15.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds38
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.56
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015
butyl pentyl carbonate
CID 545576
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
azane;dioctyl carbonate
CID 174626203
dioctyl(dipropoxy)stannane
CID 87371484
dibutyl-di(nonoxy)stannane
CID 87642820
4-O-[[(Z)-4-octadecoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-octadecyl (Z)-but-2-enedioate
CID 16684498

Frequently Asked Questions

What is the IUPAC name of [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate?
The IUPAC name of [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate (CID 141184710) is [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate.
What is the SMILES notation for [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate?
The canonical SMILES for [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate is CCCCCCCC[Sn](CCCCCCCC)(OCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)OCCCC.
What is the InChIKey of [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate?
The InChIKey is CPCNDVMVAHPZBM-UHFFFAOYSA-M. The full InChI is InChI=1S/4C8H17.C5H10O3.C4H9O.O.2Sn/c4*1-3-5-7-8-6-4-2;1-2-3-4-8-5(6)7;1-2-3-4-5;;;/h4*1,3-8H2,2H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;;;/q;;;;;-1;;2*+1/p-1.
What are the key properties of [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate?
[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate has a molecular weight of 896.56 g/mol, XLogP of 15.10, 38 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate is sourced from PubChem (CID 141184710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).