boric acid;di(nonyl)tin

C18H41BO3Sn — CID 174438027

IUPACboric acid;di(nonyl)tin
SMILESCCCCCCCCC[Sn]CCCCCCCCC.OB(O)O
InChIInChI=1S/2C9H19.BH3O3.Sn/c2*1-3-5-7-9-8-6-4-2;2-1(3)4;/h2*1,3-9H2,2H3;2-4H;
InChIKeyMTTGCUIXYNRSBB-UHFFFAOYSA-N
MW435.05 g/mol
LogP4.98
Rot. Bonds16

About boric acid;di(nonyl)tin

boric acid;di(nonyl)tin (PubChem CID 174438027) has the molecular formula C18H41BO3Sn and a molecular weight of 435.05 g/mol. Its IUPAC name is boric acid;di(nonyl)tin.

Molecular Properties

Compound Nameboric acid;di(nonyl)tin
PubChem CID174438027
Molecular FormulaC18H41BO3Sn
Molecular Weight435.05 g/mol
Exact Mass436.22
IUPAC Nameboric acid;di(nonyl)tin
SMILESCCCCCCCCC[Sn]CCCCCCCCC.OB(O)O
InChIInChI=1S/2C9H19.BH3O3.Sn/c2*1-3-5-7-9-8-6-4-2;2-1(3)4;/h2*1,3-9H2,2H3;2-4H;
InChIKeyMTTGCUIXYNRSBB-UHFFFAOYSA-N
XLogP4.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.05
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

didodecyltin;dihydrate
CID 87238842
dibutyltin
CID 6484
chloroethene;dioctyltin
CID 158196482
aminomethyl(hexyl)tin
CID 174792659
dibutyltin;methane
CID 158142869
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;silane
CID 163880557
dioctyltin;3-ethylpentan-2-one
CID 175380783
2-acetyl-3-oxobutanoic acid;dioctyltin
CID 174495753
2,3-bis(sulfanyl)propan-1-ol;dioctyltin
CID 158959103
CID 131878919
CID 131878919
dibutyltin;tetrakis(dodecanoic acid)
CID 173333361

Frequently Asked Questions

What is the IUPAC name of boric acid;di(nonyl)tin?
The IUPAC name of boric acid;di(nonyl)tin (CID 174438027) is boric acid;di(nonyl)tin.
What is the SMILES notation for boric acid;di(nonyl)tin?
The canonical SMILES for boric acid;di(nonyl)tin is CCCCCCCCC[Sn]CCCCCCCCC.OB(O)O.
What is the InChIKey of boric acid;di(nonyl)tin?
The InChIKey is MTTGCUIXYNRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19.BH3O3.Sn/c2*1-3-5-7-9-8-6-4-2;2-1(3)4;/h2*1,3-9H2,2H3;2-4H;.
What are the key properties of boric acid;di(nonyl)tin?
boric acid;di(nonyl)tin has a molecular weight of 435.05 g/mol, XLogP of 4.98, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;di(nonyl)tin is sourced from PubChem (CID 174438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).