[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate

C26H48O8Sn — CID 140689629

IUPAC[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate
SMILESCCCCCCCC(=O)CC(=O)O[Sn](OC(=O)CC(=O)CCCCCCC)(OC(C)C)OC(C)C
InChIInChI=1S/2C10H18O3.2C3H7O.Sn/c2*1-2-3-4-5-6-7-9(11)8-10(12)13;2*1-3(2)4;/h2*2-8H2,1H3,(H,12,13);2*3H,1-2H3;/q;;2*-1;+4/p-2
InChIKeyRHAKGVIDUCIFDK-UHFFFAOYSA-L
MW607.37 g/mol
LogP6.00
Rot. Bonds22

About [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate

[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate (PubChem CID 140689629) has the molecular formula C26H48O8Sn and a molecular weight of 607.37 g/mol. Its IUPAC name is [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate.

Molecular Properties

Compound Name[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate
PubChem CID140689629
Molecular FormulaC26H48O8Sn
Molecular Weight607.37 g/mol
Exact Mass608.24
IUPAC Name[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate
SMILESCCCCCCCC(=O)CC(=O)O[Sn](OC(=O)CC(=O)CCCCCCC)(OC(C)C)OC(C)C
InChIInChI=1S/2C10H18O3.2C3H7O.Sn/c2*1-2-3-4-5-6-7-9(11)8-10(12)13;2*1-3(2)4;/h2*2-8H2,1H3,(H,12,13);2*3H,1-2H3;/q;;2*-1;+4/p-2
InChIKeyRHAKGVIDUCIFDK-UHFFFAOYSA-L
XLogP6.00
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-oxononanoate
CID 57126461
copper methyl 3-oxoicosanoate
CID 158027661
heptacosane-10,12-dione
CID 14235516
methyl 3,5-dioxohexadecanoate
CID 11403794
butyl 3-oxodecanoate
CID 101282177
bis(3-oxodecanoyloxy)alumanyl 3-oxodecanoate
CID 140689647
2-methyldodecane-3,5-dione
CID 62875134
2-methyldecane-3,5-dione
CID 62875136
propan-2-yl undecanoate
CID 3016538
methyl 8-oxotridecanoate
CID 14454473
methyl 6-oxoicosanoate
CID 57100590
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate?
The IUPAC name of [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate (CID 140689629) is [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate.
What is the SMILES notation for [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate?
The canonical SMILES for [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate is CCCCCCCC(=O)CC(=O)O[Sn](OC(=O)CC(=O)CCCCCCC)(OC(C)C)OC(C)C.
What is the InChIKey of [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate?
The InChIKey is RHAKGVIDUCIFDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H18O3.2C3H7O.Sn/c2*1-2-3-4-5-6-7-9(11)8-10(12)13;2*1-3(2)4;/h2*2-8H2,1H3,(H,12,13);2*3H,1-2H3;/q;;2*-1;+4/p-2.
What are the key properties of [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate?
[3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate has a molecular weight of 607.37 g/mol, XLogP of 6.00, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxodecanoyloxy-di(propan-2-yloxy)stannyl] 3-oxodecanoate is sourced from PubChem (CID 140689629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).