CID 173021152

C21H49O4SnTi — CID 173021152

IUPAC—
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[Sn](CCCC)CCCC.[OH-].[Ti+4]
InChIInChI=1S/3C4H9.3C3H7O.H2O.Sn.Ti/c3*1-3-4-2;3*1-3(2)4;;;/h3*1,3-4H2,2H3;3*3H,1-2H3;1H2;;/q;;;3*-1;;;+4/p-1
InChIKeyHEPBRKPIUXIGKO-UHFFFAOYSA-M
MW532.20 g/mol
LogP3.97
Rot. Bonds9

About CID 173021152

CID 173021152 (PubChem CID 173021152) has the molecular formula C21H49O4SnTi and a molecular weight of 532.20 g/mol.

Molecular Properties

Compound NameCID 173021152
PubChem CID173021152
Molecular FormulaC21H49O4SnTi
Molecular Weight532.20 g/mol
Exact Mass533.21
IUPAC Name—
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[Sn](CCCC)CCCC.[OH-].[Ti+4]
InChIInChI=1S/3C4H9.3C3H7O.H2O.Sn.Ti/c3*1-3-4-2;3*1-3(2)4;;;/h3*1,3-4H2,2H3;3*3H,1-2H3;1H2;;/q;;;3*-1;;;+4/p-1
InChIKeyHEPBRKPIUXIGKO-UHFFFAOYSA-M
XLogP3.97
TPSA99.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 173021152 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

CID 173282826
CID 173282826
Stannane, tributylhydroxy-, conjugate acid
CID 6337764
CID 173415754
CID 173415754
CID 16705023
CID 16705023
aluminum;hexane;tris(propan-2-olate)
CID 173368889
bis(butan-1-olate);bis(propan-2-olate);titanium(4+)
CID 90474924
CID 11417796
CID 11417796
CID 11235896
CID 11235896
CID 173307482
CID 173307482
CID 161036779
CID 161036779
CID 139745545
CID 139745545
CID 6327904
CID 6327904

Frequently Asked Questions

What is the IUPAC name of CID 173021152?
The IUPAC name of CID 173021152 (CID 173021152) is not available.
What is the SMILES notation for CID 173021152?
The canonical SMILES for CID 173021152 is CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[Sn](CCCC)CCCC.[OH-].[Ti+4].
What is the InChIKey of CID 173021152?
The InChIKey is HEPBRKPIUXIGKO-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.3C3H7O.H2O.Sn.Ti/c3*1-3-4-2;3*1-3(2)4;;;/h3*1,3-4H2,2H3;3*3H,1-2H3;1H2;;/q;;;3*-1;;;+4/p-1.
What are the key properties of CID 173021152?
CID 173021152 has a molecular weight of 532.20 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173021152 is sourced from PubChem (CID 173021152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).