tributyl(1-diethoxyphosphorylhept-1-enyl)stannane

C23H49O3PSn — CID 71377373

IUPACtributyl(1-diethoxyphosphorylhept-1-enyl)stannane
SMILESCCCCCC=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H22O3P.3C4H9.Sn/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3;3*1-3-4-2;/h10H,4-9H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyKXNVOPGQUMBBOY-UHFFFAOYSA-N
MW523.33 g/mol
LogP9.10
Rot. Bonds19

About tributyl(1-diethoxyphosphorylhept-1-enyl)stannane

tributyl(1-diethoxyphosphorylhept-1-enyl)stannane (PubChem CID 71377373) has the molecular formula C23H49O3PSn and a molecular weight of 523.33 g/mol. Its IUPAC name is tributyl(1-diethoxyphosphorylhept-1-enyl)stannane.

Molecular Properties

Compound Nametributyl(1-diethoxyphosphorylhept-1-enyl)stannane
PubChem CID71377373
Molecular FormulaC23H49O3PSn
Molecular Weight523.33 g/mol
Exact Mass524.24
IUPAC Nametributyl(1-diethoxyphosphorylhept-1-enyl)stannane
SMILESCCCCCC=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H22O3P.3C4H9.Sn/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3;3*1-3-4-2;/h10H,4-9H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyKXNVOPGQUMBBOY-UHFFFAOYSA-N
XLogP9.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.33
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl(1-diethoxyphosphorylhept-1-enyl)stannane?
The IUPAC name of tributyl(1-diethoxyphosphorylhept-1-enyl)stannane (CID 71377373) is tributyl(1-diethoxyphosphorylhept-1-enyl)stannane.
What is the SMILES notation for tributyl(1-diethoxyphosphorylhept-1-enyl)stannane?
The canonical SMILES for tributyl(1-diethoxyphosphorylhept-1-enyl)stannane is CCCCCC=C(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-diethoxyphosphorylhept-1-enyl)stannane?
The InChIKey is KXNVOPGQUMBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3P.3C4H9.Sn/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3;3*1-3-4-2;/h10H,4-9H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(1-diethoxyphosphorylhept-1-enyl)stannane?
tributyl(1-diethoxyphosphorylhept-1-enyl)stannane has a molecular weight of 523.33 g/mol, XLogP of 9.10, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-diethoxyphosphorylhept-1-enyl)stannane is sourced from PubChem (CID 71377373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).