trioctyl(pentoxy)stannane

C29H62OSn — CID 87643879

IUPACtrioctyl(pentoxy)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCCCCC
InChIInChI=1S/3C8H17.C5H11O.Sn/c3*1-3-5-7-8-6-4-2;1-2-3-4-5-6;/h3*1,3-8H2,2H3;2-5H2,1H3;/q;;;-1;+1
InChIKeyPPVVDBYJRDYGRY-UHFFFAOYSA-N
MW545.53 g/mol
LogP11.22
Rot. Bonds26

About trioctyl(pentoxy)stannane

trioctyl(pentoxy)stannane (PubChem CID 87643879) has the molecular formula C29H62OSn and a molecular weight of 545.53 g/mol. Its IUPAC name is trioctyl(pentoxy)stannane.

Molecular Properties

Compound Nametrioctyl(pentoxy)stannane
PubChem CID87643879
Molecular FormulaC29H62OSn
Molecular Weight545.53 g/mol
Exact Mass546.38
IUPAC Nametrioctyl(pentoxy)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCCCCC
InChIInChI=1S/3C8H17.C5H11O.Sn/c3*1-3-5-7-8-6-4-2;1-2-3-4-5-6;/h3*1,3-8H2,2H3;2-5H2,1H3;/q;;;-1;+1
InChIKeyPPVVDBYJRDYGRY-UHFFFAOYSA-N
XLogP11.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.53
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl-hexoxy-octylstannane
CID 149251797
dibutyl-ethyl-nonoxystannane
CID 87372414
dibutyl-ethyl-heptoxystannane
CID 87371470
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
dibutyl-di(nonoxy)stannane
CID 87642820
dibutyl-[dibutyl(dodecyl)stannyl]oxy-dodecylstannane
CID 18432072
2-ethylbutoxy(trioctyl)stannane
CID 87372569
tributyl-[butyl(dipentoxy)stannyl]oxystannane
CID 87861161
2-tributylstannyloxy-N,N-bis(2-tributylstannyloxyethyl)ethanamine
CID 16689184
decoxy-[decoxy(dimethyl)stannyl]oxy-dimethylstannane
CID 23073861
dioctyl(dipropoxy)stannane
CID 87371484
butyl-(butyl-methyl-nonoxystannyl)oxy-methyl-nonoxystannane
CID 23115062

Frequently Asked Questions

What is the IUPAC name of trioctyl(pentoxy)stannane?
The IUPAC name of trioctyl(pentoxy)stannane (CID 87643879) is trioctyl(pentoxy)stannane.
What is the SMILES notation for trioctyl(pentoxy)stannane?
The canonical SMILES for trioctyl(pentoxy)stannane is CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCCCCC.
What is the InChIKey of trioctyl(pentoxy)stannane?
The InChIKey is PPVVDBYJRDYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.C5H11O.Sn/c3*1-3-5-7-8-6-4-2;1-2-3-4-5-6;/h3*1,3-8H2,2H3;2-5H2,1H3;/q;;;-1;+1.
What are the key properties of trioctyl(pentoxy)stannane?
trioctyl(pentoxy)stannane has a molecular weight of 545.53 g/mol, XLogP of 11.22, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trioctyl(pentoxy)stannane is sourced from PubChem (CID 87643879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).