CID 101288470

C22H28O4Sn — CID 101288470

IUPAC—
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLHFURYICKMKJHJ-UHFFFAOYSA-L
MW475.17 g/mol
LogP2.96
Rot. Bonds4

About CID 101288470

CID 101288470 (PubChem CID 101288470) has the molecular formula C22H28O4Sn and a molecular weight of 475.17 g/mol.

Molecular Properties

Compound NameCID 101288470
PubChem CID101288470
Molecular FormulaC22H28O4Sn
Molecular Weight475.17 g/mol
Exact Mass476.10
IUPAC Name—
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLHFURYICKMKJHJ-UHFFFAOYSA-L
XLogP2.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 101288470 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

azanium;ethanol;benzoate
CID 158099559
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
fluoromethane benzoate
CID 162095004
sodium;formaldehyde;benzoate
CID 159976581
azanium benzoate
CID 15830
barium(2+) benzoate
CID 22608800
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
platinum(4+) tetrabenzoate
CID 173022810

Frequently Asked Questions

What is the IUPAC name of CID 101288470?
The IUPAC name of CID 101288470 (CID 101288470) is not available.
What is the SMILES notation for CID 101288470?
The canonical SMILES for CID 101288470 is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH2]CCC.[CH2]CCC.[Sn+2].
What is the InChIKey of CID 101288470?
The InChIKey is LHFURYICKMKJHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of CID 101288470?
CID 101288470 has a molecular weight of 475.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101288470 is sourced from PubChem (CID 101288470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).