CID 170849522

C16H36B2O5Sn2 — CID 170849522

IUPAC—
SMILESC[C](C)C.C[C](C)C.C[C](C)C.C[C](C)C.[O-]B([O-])OB([O-])[O-].[Sn+2].[Sn+2]
InChIInChI=1S/4C4H9.B2O5.2Sn/c4*1-4(2)3;3-1(4)7-2(5)6;;/h4*1-3H3;;;/q;;;;-4;2*+2
InChIKeyZLRVSTYXIIWWLF-UHFFFAOYSA-N
MW567.51 g/mol
LogP0.13
Rot. Bonds2

About CID 170849522

CID 170849522 (PubChem CID 170849522) has the molecular formula C16H36B2O5Sn2 and a molecular weight of 567.51 g/mol.

Molecular Properties

Compound NameCID 170849522
PubChem CID170849522
Molecular FormulaC16H36B2O5Sn2
Molecular Weight567.51 g/mol
Exact Mass570.08
IUPAC Name—
SMILESC[C](C)C.C[C](C)C.C[C](C)C.C[C](C)C.[O-]B([O-])OB([O-])[O-].[Sn+2].[Sn+2]
InChIInChI=1S/4C4H9.B2O5.2Sn/c4*1-4(2)3;3-1(4)7-2(5)6;;/h4*1-3H3;;;/q;;;;-4;2*+2
InChIKeyZLRVSTYXIIWWLF-UHFFFAOYSA-N
XLogP0.13
TPSA101.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.51
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 170849522 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dioxidoboranyloxy(dioxido)borane;zirconium(4+)
CID 161331427
CID 101142971
CID 101142971
zinc;dihydrogen borate;hydroxide
CID 159310168
dodecasodium;acetic acid;tetraborate
CID 157209922
aluminum;boric acid;N-methylmethanamine;borate
CID 172779602
dioxido(oxidooxy)borane;tris(rubidium(1+))
CID 173286288
calcium;dihydrogen borate;acetate
CID 87324635
sodium;tin(2+);borate
CID 174594424
trizinc;tris(lead(2+));tetraborate
CID 173100752
sodium;acetic acid;fluoro(dioxido)borane
CID 19830556
tetralithium;bis(dioxidoboranyl) carbonate
CID 175154449
trilithium;bis(2-oxopropanoic acid);borate
CID 175964793

Frequently Asked Questions

What is the IUPAC name of CID 170849522?
The IUPAC name of CID 170849522 (CID 170849522) is not available.
What is the SMILES notation for CID 170849522?
The canonical SMILES for CID 170849522 is C[C](C)C.C[C](C)C.C[C](C)C.C[C](C)C.[O-]B([O-])OB([O-])[O-].[Sn+2].[Sn+2].
What is the InChIKey of CID 170849522?
The InChIKey is ZLRVSTYXIIWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.B2O5.2Sn/c4*1-4(2)3;3-1(4)7-2(5)6;;/h4*1-3H3;;;/q;;;;-4;2*+2.
What are the key properties of CID 170849522?
CID 170849522 has a molecular weight of 567.51 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170849522 is sourced from PubChem (CID 170849522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).