tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane

C20H40OSn — CID 16688523

IUPACtributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)OC1=CCC(C)(C)CC1
InChIInChI=1S/C8H14O.3C4H9.Sn/c1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;/h3,9H,4-6H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyJCFVQNHRCBYYCM-UHFFFAOYSA-M
MW415.25 g/mol
LogP7.44
Rot. Bonds11

About tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane

tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane (PubChem CID 16688523) has the molecular formula C20H40OSn and a molecular weight of 415.25 g/mol. Its IUPAC name is tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane.

Molecular Properties

Compound Nametributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane
PubChem CID16688523
Molecular FormulaC20H40OSn
Molecular Weight415.25 g/mol
Exact Mass416.21
IUPAC Nametributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)OC1=CCC(C)(C)CC1
InChIInChI=1S/C8H14O.3C4H9.Sn/c1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;/h3,9H,4-6H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyJCFVQNHRCBYYCM-UHFFFAOYSA-M
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane?
The IUPAC name of tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane (CID 16688523) is tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane.
What is the SMILES notation for tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane?
The canonical SMILES for tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane is CCCC[Sn](CCCC)(CCCC)OC1=CCC(C)(C)CC1.
What is the InChIKey of tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane?
The InChIKey is JCFVQNHRCBYYCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O.3C4H9.Sn/c1-8(2)5-3-7(9)4-6-8;3*1-3-4-2;/h3,9H,4-6H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane?
tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane has a molecular weight of 415.25 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane is sourced from PubChem (CID 16688523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).