tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane

C21H44OSn — CID 10388012

IUPACtributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)(C)C
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-5-10-8-6-7-9(2,3)4;3*1-3-4-2;/h6-8H,5H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;
InChIKeyNNCJLBJZNBOLHL-SKAPHXEVSA-N
MW431.29 g/mol
LogP7.80
Rot. Bonds13

About tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane

tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane (PubChem CID 10388012) has the molecular formula C21H44OSn and a molecular weight of 431.29 g/mol. Its IUPAC name is tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane
PubChem CID10388012
Molecular FormulaC21H44OSn
Molecular Weight431.29 g/mol
Exact Mass432.24
IUPAC Nametributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)(C)C
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-5-10-8-6-7-9(2,3)4;3*1-3-4-2;/h6-8H,5H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;
InChIKeyNNCJLBJZNBOLHL-SKAPHXEVSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 57.80
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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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane?
The IUPAC name of tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane (CID 10388012) is tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane?
The canonical SMILES for tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane is CCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)(C)C.
What is the InChIKey of tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane?
The InChIKey is NNCJLBJZNBOLHL-SKAPHXEVSA-N. The full InChI is InChI=1S/C9H17O.3C4H9.Sn/c1-5-10-8-6-7-9(2,3)4;3*1-3-4-2;/h6-8H,5H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;.
What are the key properties of tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane?
tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane has a molecular weight of 431.29 g/mol, XLogP of 7.80, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane is sourced from PubChem (CID 10388012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).