diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane

C22H38F10O2Sn — CID 87370851

IUPACdiheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
SMILESCCCCCCCO[Sn](OCCCCCCC)(C(F)C(F)C(F)C(F)F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/2C7H15O.2C4H4F5.Sn/c2*1-2-3-4-5-6-7-8;2*5-1-2(6)3(7)4(8)9;/h2*2-7H2,1H3;2*1-4H;/q2*-1;;;+2
InChIKeyHTHRXBPBPBCSMB-UHFFFAOYSA-N
MW643.23 g/mol
LogP8.04
Rot. Bonds22

About diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane

diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane (PubChem CID 87370851) has the molecular formula C22H38F10O2Sn and a molecular weight of 643.23 g/mol. Its IUPAC name is diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane.

Molecular Properties

Compound Namediheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
PubChem CID87370851
Molecular FormulaC22H38F10O2Sn
Molecular Weight643.23 g/mol
Exact Mass644.17
IUPAC Namediheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
SMILESCCCCCCCO[Sn](OCCCCCCC)(C(F)C(F)C(F)C(F)F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/2C7H15O.2C4H4F5.Sn/c2*1-2-3-4-5-6-7-8;2*5-1-2(6)3(7)4(8)9;/h2*2-7H2,1H3;2*1-4H;/q2*-1;;;+2
InChIKeyHTHRXBPBPBCSMB-UHFFFAOYSA-N
XLogP8.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.23
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trioctyl(pentoxy)stannane
CID 87643879
1-(difluoromethoxy)decane
CID 14400535
diethyl-hexoxy-octylstannane
CID 149251797
heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
CID 87372400
dibutyl-di(nonoxy)stannane
CID 87642820
decoxy-[decoxy(dimethyl)stannyl]oxy-dimethylstannane
CID 23073861
1-(1-fluoroethoxy)tridecane
CID 175410550
1,2,4-trifluoro-3-hexoxybutan-1-ol
CID 19905073
octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23115024
decane;ruthenium
CID 160818595
1-(1-fluorobutoxy)heptane
CID 87417089
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006

Frequently Asked Questions

What is the IUPAC name of diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane?
The IUPAC name of diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane (CID 87370851) is diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane.
What is the SMILES notation for diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane?
The canonical SMILES for diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane is CCCCCCCO[Sn](OCCCCCCC)(C(F)C(F)C(F)C(F)F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane?
The InChIKey is HTHRXBPBPBCSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15O.2C4H4F5.Sn/c2*1-2-3-4-5-6-7-8;2*5-1-2(6)3(7)4(8)9;/h2*2-7H2,1H3;2*1-4H;/q2*-1;;;+2.
What are the key properties of diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane?
diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane has a molecular weight of 643.23 g/mol, XLogP of 8.04, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane is sourced from PubChem (CID 87370851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).