tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane

C25H50OSn — CID 11005407

IUPACtributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)(C)C)OCC1CCCCC1
InChIInChI=1S/C13H23O.3C4H9.Sn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;3*1-3-4-2;/h9,12H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyOLMNEKISOSIFDS-UHFFFAOYSA-N
MW485.39 g/mol
LogP8.90
Rot. Bonds13

About tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane

tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane (PubChem CID 11005407) has the molecular formula C25H50OSn and a molecular weight of 485.39 g/mol. Its IUPAC name is tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
PubChem CID11005407
Molecular FormulaC25H50OSn
Molecular Weight485.39 g/mol
Exact Mass486.29
IUPAC Nametributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)(C)C)OCC1CCCCC1
InChIInChI=1S/C13H23O.3C4H9.Sn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;3*1-3-4-2;/h9,12H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyOLMNEKISOSIFDS-UHFFFAOYSA-N
XLogP8.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-deuterio-3,3-dimethylbut-1-enoxy]methylcyclohexane
CID 11127223
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-enyl]stannane
CID 14970159
tributyl-[(E)-1-(cyclohexylmethoxy)-3-methylpent-1-enyl]stannane
CID 14970160
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
2-Oct-1-enoxyethylcyclohexane
CID 56987669
2-Octadecoxyethenylcyclohexane
CID 57025931
4-Oct-1-enoxybutylcyclohexane
CID 57107856
3-Hept-1-enoxypropylcyclohexane
CID 57142799
4-Hept-1-enoxybutylcyclohexane
CID 57178146
3-Oct-1-enoxypropylcyclohexane
CID 57190977
But-1-enoxymethylcyclohexane
CID 66838092
Bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane
CID 10065873

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane (CID 11005407) is tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/C(C)(C)C)OCC1CCCCC1.
What is the InChIKey of tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane?
The InChIKey is OLMNEKISOSIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O.3C4H9.Sn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;3*1-3-4-2;/h9,12H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane?
tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane has a molecular weight of 485.39 g/mol, XLogP of 8.90, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane is sourced from PubChem (CID 11005407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).