octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane

C32H50F20O3Sn2 — CID 23115024

IUPACoctoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCCCCCO[Sn](O[Sn](OCCCCCCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C8H17O.4C4H4F5.O.2Sn/c2*1-2-3-4-5-6-7-8-9;4*1-2(5)4(8,9)3(6)7;;;/h2*2-8H2,1H3;4*2H,1H3;;;/q2*-1;;;;;;2*+1
InChIKeyVLRVWHGKVUWLRC-UHFFFAOYSA-N
MW1100.13 g/mol
LogP13.31
Rot. Bonds30

About octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane

octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (PubChem CID 23115024) has the molecular formula C32H50F20O3Sn2 and a molecular weight of 1100.13 g/mol. Its IUPAC name is octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.

Molecular Properties

Compound Nameoctoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
PubChem CID23115024
Molecular FormulaC32H50F20O3Sn2
Molecular Weight1100.13 g/mol
Exact Mass1102.15
IUPAC Nameoctoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCCCCCO[Sn](O[Sn](OCCCCCCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C8H17O.4C4H4F5.O.2Sn/c2*1-2-3-4-5-6-7-8-9;4*1-2(5)4(8,9)3(6)7;;;/h2*2-8H2,1H3;4*2H,1H3;;;/q2*-1;;;;;;2*+1
InChIKeyVLRVWHGKVUWLRC-UHFFFAOYSA-N
XLogP13.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.13
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
CID 87372400
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(difluoromethoxy)decane
CID 14400535
3-dodecoxy-1,1,2-trifluorobutan-1-ol
CID 88524929
1-(3,3,3-trifluoro-2-methylpropoxy)octane
CID 22002907
decoxy-[decoxy(dimethyl)stannyl]oxy-dimethylstannane
CID 23073861
[bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannane
CID 87374855
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
CID 87370851
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839

Frequently Asked Questions

What is the IUPAC name of octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The IUPAC name of octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (CID 23115024) is octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.
What is the SMILES notation for octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The canonical SMILES for octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is CCCCCCCCO[Sn](O[Sn](OCCCCCCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The InChIKey is VLRVWHGKVUWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17O.4C4H4F5.O.2Sn/c2*1-2-3-4-5-6-7-8-9;4*1-2(5)4(8,9)3(6)7;;;/h2*2-8H2,1H3;4*2H,1H3;;;/q2*-1;;;;;;2*+1.
What are the key properties of octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane has a molecular weight of 1100.13 g/mol, XLogP of 13.31, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is sourced from PubChem (CID 23115024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).