CID 162111833

C22H44O4Sn — CID 162111833

IUPAC—
SMILESCOC(=O)CCCCCC(C)(C)C.COC(=O)CCCCCC(C)(C)C.[Sn]
InChIInChI=1S/2C11H22O2.Sn/c2*1-11(2,3)9-7-5-6-8-10(12)13-4;/h2*5-9H2,1-4H3;
InChIKeyZGGGFLCIYHJOBB-UHFFFAOYSA-N
MW491.30 g/mol
LogP5.93
Rot. Bonds10

About CID 162111833

CID 162111833 (PubChem CID 162111833) has the molecular formula C22H44O4Sn and a molecular weight of 491.30 g/mol.

Molecular Properties

Compound NameCID 162111833
PubChem CID162111833
Molecular FormulaC22H44O4Sn
Molecular Weight491.30 g/mol
Exact Mass492.23
IUPAC Name—
SMILESCOC(=O)CCCCCC(C)(C)C.COC(=O)CCCCCC(C)(C)C.[Sn]
InChIInChI=1S/2C11H22O2.Sn/c2*1-11(2,3)9-7-5-6-8-10(12)13-4;/h2*5-9H2,1-4H3;
InChIKeyZGGGFLCIYHJOBB-UHFFFAOYSA-N
XLogP5.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.30
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 162111833 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

methyl 6,6-dimethylheptanoate
CID 20777196
amino 7,7-dimethyloctanoate
CID 156697995
9,9-dimethyldecanoyl 9,9-dimethyldecanoate
CID 141055153
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149
bromo 6,6-dimethylheptanoate
CID 174457902
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
CID 140559199
dimethyl 9-oxooctadecanedioate
CID 544455

Frequently Asked Questions

What is the IUPAC name of CID 162111833?
The IUPAC name of CID 162111833 (CID 162111833) is not available.
What is the SMILES notation for CID 162111833?
The canonical SMILES for CID 162111833 is COC(=O)CCCCCC(C)(C)C.COC(=O)CCCCCC(C)(C)C.[Sn].
What is the InChIKey of CID 162111833?
The InChIKey is ZGGGFLCIYHJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O2.Sn/c2*1-11(2,3)9-7-5-6-8-10(12)13-4;/h2*5-9H2,1-4H3;.
What are the key properties of CID 162111833?
CID 162111833 has a molecular weight of 491.30 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162111833 is sourced from PubChem (CID 162111833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).