bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)

C22H42O8Sn+2 — CID 88670206

IUPACbis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)
SMILESCCCCOCCOC(C)OC(=O)C(C)[Sn+2]C(C)C(=O)OC(C)OCCOCCCC
InChIInChI=1S/2C11H21O4.Sn/c2*1-4-6-7-13-8-9-14-10(3)15-11(12)5-2;/h2*5,10H,4,6-9H2,1-3H3;/q;;+2
InChIKeyQJPLRIADIQZNJN-UHFFFAOYSA-N
MW553.28 g/mol
LogP3.75
Rot. Bonds20

About bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)

bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+) (PubChem CID 88670206) has the molecular formula C22H42O8Sn+2 and a molecular weight of 553.28 g/mol. Its IUPAC name is bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+).

Molecular Properties

Compound Namebis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)
PubChem CID88670206
Molecular FormulaC22H42O8Sn+2
Molecular Weight553.28 g/mol
Exact Mass554.19
IUPAC Namebis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)
SMILESCCCCOCCOC(C)OC(=O)C(C)[Sn+2]C(C)C(=O)OC(C)OCCOCCCC
InChIInChI=1S/2C11H21O4.Sn/c2*1-4-6-7-13-8-9-14-10(3)15-11(12)5-2;/h2*5,10H,4,6-9H2,1-3H3;/q;;+2
InChIKeyQJPLRIADIQZNJN-UHFFFAOYSA-N
XLogP3.75
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
3-(2-butoxyethoxy)butan-2-one
CID 43800225
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-(2-pentoxyethoxy)ethyl 2-cyanoprop-2-enoate
CID 87744175
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297
tert-butyl 2-(2-butoxyethoxy)propanoate
CID 66337185
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
3-(2-butoxyethoxy)butan-2-amine
CID 61351775
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806

Frequently Asked Questions

What is the IUPAC name of bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)?
The IUPAC name of bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+) (CID 88670206) is bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+).
What is the SMILES notation for bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)?
The canonical SMILES for bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+) is CCCCOCCOC(C)OC(=O)C(C)[Sn+2]C(C)C(=O)OC(C)OCCOCCCC.
What is the InChIKey of bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)?
The InChIKey is QJPLRIADIQZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21O4.Sn/c2*1-4-6-7-13-8-9-14-10(3)15-11(12)5-2;/h2*5,10H,4,6-9H2,1-3H3;/q;;+2.
What are the key properties of bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+)?
bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+) has a molecular weight of 553.28 g/mol, XLogP of 3.75, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-[1-(2-butoxyethoxy)ethoxy]-1-oxopropan-2-yl]tin(2+) is sourced from PubChem (CID 88670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).