tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane

C21H44OSn — CID 10094254

IUPACtributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane
SMILESCCCCC(/C=C\OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-3-5-6-7-8-9-10-4-2;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/b9-8-;;;;
InChIKeyVEBLMMAKWOZJAG-YTAXHDFKSA-N
MW431.29 g/mol
LogP7.95
Rot. Bonds16

About tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane

tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane (PubChem CID 10094254) has the molecular formula C21H44OSn and a molecular weight of 431.29 g/mol. Its IUPAC name is tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane
PubChem CID10094254
Molecular FormulaC21H44OSn
Molecular Weight431.29 g/mol
Exact Mass432.24
IUPAC Nametributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane
SMILESCCCCC(/C=C\OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-3-5-6-7-8-9-10-4-2;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/b9-8-;;;;
InChIKeyVEBLMMAKWOZJAG-YTAXHDFKSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 57.95
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

1-Decene, 1-ethoxy-
CID 53422433
1-Methoxydecene
CID 6365701
1-Ethoxy-1-hexene
CID 10877141
1-Methoxydec-1-ene
CID 3018221
(E)-1-ethoxydec-1-ene
CID 21972057
alpha-Octadec-1-enyl ether
CID 54273952
Hexadec-1-enyl ether
CID 57140599
(E)-1-methoxyoct-1-ene
CID 10964624
Decenyl oxide
CID 54362454
(E)-1-methoxyundec-1-ene
CID 11480871
(E)-1-methoxynon-1-ene
CID 11805015
(1E)-1-methoxy-1-pentadecene
CID 13215972

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane?
The IUPAC name of tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane (CID 10094254) is tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane?
The canonical SMILES for tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane is CCCCC(/C=C\OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane?
The InChIKey is VEBLMMAKWOZJAG-YTAXHDFKSA-N. The full InChI is InChI=1S/C9H17O.3C4H9.Sn/c1-3-5-6-7-8-9-10-4-2;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/b9-8-;;;;.
What are the key properties of tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane?
tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane has a molecular weight of 431.29 g/mol, XLogP of 7.95, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-ethoxyhept-1-en-3-yl]stannane is sourced from PubChem (CID 10094254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).