[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate

C26H36O4Sn — CID 139672402

IUPAC[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(C)c1C)OC(=O)c1cccc(C)c1C
InChIInChI=1S/2C9H10O2.2C4H9.Sn/c2*1-6-4-3-5-8(7(6)2)9(10)11;2*1-3-4-2;/h2*3-5H,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyNAZVEHYWALRMQN-UHFFFAOYSA-L
MW531.28 g/mol
LogP6.98
Rot. Bonds10

About [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate

[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate (PubChem CID 139672402) has the molecular formula C26H36O4Sn and a molecular weight of 531.28 g/mol. Its IUPAC name is [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate
PubChem CID139672402
Molecular FormulaC26H36O4Sn
Molecular Weight531.28 g/mol
Exact Mass532.16
IUPAC Name[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(C)c1C)OC(=O)c1cccc(C)c1C
InChIInChI=1S/2C9H10O2.2C4H9.Sn/c2*1-6-4-3-5-8(7(6)2)9(10)11;2*1-3-4-2;/h2*3-5H,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyNAZVEHYWALRMQN-UHFFFAOYSA-L
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.28
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
CID 16707575
aminomethyl 2,3-dimethylbenzoate
CID 66871801
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
fluoro 2,3-dimethylbenzoate
CID 174427719
trioctylstannyl naphthalene-1-carboxylate
CID 140558315
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
[2-(4-butylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2390832
hexane;1,2,3-trimethylbenzene
CID 159405289
[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
CID 16683191
3-oxopropyl 2,3-dimethylbenzoate
CID 174643723

Frequently Asked Questions

What is the IUPAC name of [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate?
The IUPAC name of [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate (CID 139672402) is [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate?
The canonical SMILES for [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate is CCCC[Sn](CCCC)(OC(=O)c1cccc(C)c1C)OC(=O)c1cccc(C)c1C.
What is the InChIKey of [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate?
The InChIKey is NAZVEHYWALRMQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H10O2.2C4H9.Sn/c2*1-6-4-3-5-8(7(6)2)9(10)11;2*1-3-4-2;/h2*3-5H,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate?
[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate has a molecular weight of 531.28 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 139672402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).