tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane

C19H40O2Sn — CID 14592139

IUPACtributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h1,4,7H,5-6H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXSQKHHCSNRVBRP-UHFFFAOYSA-N
MW419.24 g/mol
LogP6.33
Rot. Bonds15

About tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane

tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane (PubChem CID 14592139) has the molecular formula C19H40O2Sn and a molecular weight of 419.24 g/mol. Its IUPAC name is tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
PubChem CID14592139
Molecular FormulaC19H40O2Sn
Molecular Weight419.24 g/mol
Exact Mass420.21
IUPAC Nametributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h1,4,7H,5-6H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXSQKHHCSNRVBRP-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
1,1-diethoxyundec-2-ene
CID 3018094
(E)-1,1-diethoxydec-2-ene
CID 6437222
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
1,1-diethoxynon-2-en-4-ol
CID 57319218

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane (CID 14592139) is tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane is CCCC[Sn](/C=C\C(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane?
The InChIKey is XSQKHHCSNRVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h1,4,7H,5-6H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane?
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane has a molecular weight of 419.24 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane is sourced from PubChem (CID 14592139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).