butyl(3,3-dimethoxypropyl)tin

C9H20O2Sn — CID 87371389

IUPACbutyl(3,3-dimethoxypropyl)tin
SMILESCCCC[Sn]CCC(OC)OC
InChIInChI=1S/C5H11O2.C4H9.Sn/c1-4-5(6-2)7-3;1-3-4-2;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;
InChIKeyMDSLVLLXFXPULZ-UHFFFAOYSA-N
MW278.97 g/mol
LogP2.34
Rot. Bonds8

About butyl(3,3-dimethoxypropyl)tin

butyl(3,3-dimethoxypropyl)tin (PubChem CID 87371389) has the molecular formula C9H20O2Sn and a molecular weight of 278.97 g/mol. Its IUPAC name is butyl(3,3-dimethoxypropyl)tin.

Molecular Properties

Compound Namebutyl(3,3-dimethoxypropyl)tin
PubChem CID87371389
Molecular FormulaC9H20O2Sn
Molecular Weight278.97 g/mol
Exact Mass280.05
IUPAC Namebutyl(3,3-dimethoxypropyl)tin
SMILESCCCC[Sn]CCC(OC)OC
InChIInChI=1S/C5H11O2.C4H9.Sn/c1-4-5(6-2)7-3;1-3-4-2;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;
InChIKeyMDSLVLLXFXPULZ-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.97
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

butyl(2,2-dimethoxyethyl)tin
CID 87372194
dibutyltin
CID 6484
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
dibutyltin;silane
CID 163880557
1,1-dimethoxytetradecane
CID 13265409
dibutyltin;dimethoxysilane
CID 157060986
1-butoxybutane;dibutyltin
CID 87184018
dibutyltin;tris(ethane-1,1,1,2,2,2-hexol)
CID 173133836
butyl(3-hydroxypropyl)tin
CID 177489361
cyclohexyloxycyclohexane;dibutyltin
CID 87393205
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015

Frequently Asked Questions

What is the IUPAC name of butyl(3,3-dimethoxypropyl)tin?
The IUPAC name of butyl(3,3-dimethoxypropyl)tin (CID 87371389) is butyl(3,3-dimethoxypropyl)tin.
What is the SMILES notation for butyl(3,3-dimethoxypropyl)tin?
The canonical SMILES for butyl(3,3-dimethoxypropyl)tin is CCCC[Sn]CCC(OC)OC.
What is the InChIKey of butyl(3,3-dimethoxypropyl)tin?
The InChIKey is MDSLVLLXFXPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.C4H9.Sn/c1-4-5(6-2)7-3;1-3-4-2;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;.
What are the key properties of butyl(3,3-dimethoxypropyl)tin?
butyl(3,3-dimethoxypropyl)tin has a molecular weight of 278.97 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(3,3-dimethoxypropyl)tin is sourced from PubChem (CID 87371389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).