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

C24H34F20O3Sn2 — CID 23073814

IUPACbutoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCO[Sn](O[Sn](OCCCC)(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/4C4H4F5.2C4H9O.O.2Sn/c4*1-2(5)4(8,9)3(6)7;2*1-2-3-4-5;;;/h4*2H,1H3;2*2-4H2,1H3;;;/q;;;;2*-1;;2*+1
InChIKeyVOYJONKKZZEIBK-UHFFFAOYSA-N
MW987.91 g/mol
LogP10.19
Rot. Bonds22

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

butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (PubChem CID 23073814) has the molecular formula C24H34F20O3Sn2 and a molecular weight of 987.91 g/mol. Its IUPAC name is butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.

Molecular Properties

Compound Namebutoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
PubChem CID23073814
Molecular FormulaC24H34F20O3Sn2
Molecular Weight987.91 g/mol
Exact Mass990.02
IUPAC Namebutoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCO[Sn](O[Sn](OCCCC)(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/4C4H4F5.2C4H9O.O.2Sn/c4*1-2(5)4(8,9)3(6)7;2*1-2-3-4-5;;;/h4*2H,1H3;2*2-4H2,1H3;;;/q;;;;2*-1;;2*+1
InChIKeyVOYJONKKZZEIBK-UHFFFAOYSA-N
XLogP10.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.91
LogP ≤ 510.19
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

octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23115024
bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
CID 87372064
heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
CID 87372400
[bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannane
CID 87374855
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
CID 95757070
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839
(2S)-4-[(1S)-1-butoxyethoxy]-1,1,1,2,3,3-hexafluorobutane
CID 98041582
dibutoxy-bis(2,3,4-trifluorobutyl)stannane
CID 87371522
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
(1R)-1-butoxy-2,2,2-trifluoroethanol
CID 102316577
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
6-[(1S)-1-butoxyethoxy]-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454618

Frequently Asked Questions

What is the IUPAC name of butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The IUPAC name of butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (CID 23073814) is butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.
What is the SMILES notation for butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The canonical SMILES for butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is CCCCO[Sn](O[Sn](OCCCC)(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 butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The InChIKey is VOYJONKKZZEIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H4F5.2C4H9O.O.2Sn/c4*1-2(5)4(8,9)3(6)7;2*1-2-3-4-5;;;/h4*2H,1H3;2*2-4H2,1H3;;;/q;;;;2*-1;;2*+1.
What are the key properties of butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane has a molecular weight of 987.91 g/mol, XLogP of 10.19, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is sourced from PubChem (CID 23073814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).