dibutyl-cyclohexyloxy-(2-methylbutyl)stannane

C19H40OSn — CID 70467895

IUPACdibutyl-cyclohexyloxy-(2-methylbutyl)stannane
SMILESCCCC[Sn](CCCC)(CC(C)CC)OC1CCCCC1
InChIInChI=1S/C6H11O.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-4-5(2)3;2*1-3-4-2;/h6H,1-5H2;5H,2,4H2,1,3H3;2*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyPMBCNDUTYAVTDI-UHFFFAOYSA-N
MW403.24 g/mol
LogP6.93
Rot. Bonds11

About dibutyl-cyclohexyloxy-(2-methylbutyl)stannane

dibutyl-cyclohexyloxy-(2-methylbutyl)stannane (PubChem CID 70467895) has the molecular formula C19H40OSn and a molecular weight of 403.24 g/mol. Its IUPAC name is dibutyl-cyclohexyloxy-(2-methylbutyl)stannane.

Molecular Properties

Compound Namedibutyl-cyclohexyloxy-(2-methylbutyl)stannane
PubChem CID70467895
Molecular FormulaC19H40OSn
Molecular Weight403.24 g/mol
Exact Mass404.21
IUPAC Namedibutyl-cyclohexyloxy-(2-methylbutyl)stannane
SMILESCCCC[Sn](CCCC)(CC(C)CC)OC1CCCCC1
InChIInChI=1S/C6H11O.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-4-5(2)3;2*1-3-4-2;/h6H,1-5H2;5H,2,4H2,1,3H3;2*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyPMBCNDUTYAVTDI-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dibutyl-cyclohexyloxy-(2-methylbutyl)stannane?
The IUPAC name of dibutyl-cyclohexyloxy-(2-methylbutyl)stannane (CID 70467895) is dibutyl-cyclohexyloxy-(2-methylbutyl)stannane.
What is the SMILES notation for dibutyl-cyclohexyloxy-(2-methylbutyl)stannane?
The canonical SMILES for dibutyl-cyclohexyloxy-(2-methylbutyl)stannane is CCCC[Sn](CCCC)(CC(C)CC)OC1CCCCC1.
What is the InChIKey of dibutyl-cyclohexyloxy-(2-methylbutyl)stannane?
The InChIKey is PMBCNDUTYAVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-4-5(2)3;2*1-3-4-2;/h6H,1-5H2;5H,2,4H2,1,3H3;2*1,3-4H2,2H3;/q-1;;;;+1.
What are the key properties of dibutyl-cyclohexyloxy-(2-methylbutyl)stannane?
dibutyl-cyclohexyloxy-(2-methylbutyl)stannane has a molecular weight of 403.24 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-cyclohexyloxy-(2-methylbutyl)stannane is sourced from PubChem (CID 70467895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).