tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane

C23H49O3PSn — CID 11731062

IUPACtributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane
SMILESCCCCC/C=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-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane

tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane (PubChem CID 11731062) has the molecular formula C23H49O3PSn and a molecular weight of 523.33 g/mol. Its IUPAC name is tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane
PubChem CID11731062
Molecular FormulaC23H49O3PSn
Molecular Weight523.33 g/mol
Exact Mass524.24
IUPAC Nametributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane
SMILESCCCCC/C=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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Related Compounds

1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
1-Diethoxyphosphoryl-1-fluoroocta-1,2-diene
CID 10611631
Phosphonic acid, 7-octenyl-, dibutyl ester
CID 535191
(E)-1-diethoxyphosphoryldodec-1-ene
CID 10040728
3-Diethoxyphosphoryldodec-1-ene
CID 10709651
(E)-1-diethoxyphosphorylhexadec-1-ene
CID 20520428
(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene
CID 20520429
1-Pentadecene-5-phosphonic acid diethyl ester
CID 21054140
1-Diethoxyphosphorylhexadec-1-ene
CID 53937226

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane (CID 11731062) is tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane is CCCCC/C=C(\P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-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-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane?
tributyl-[(E)-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-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane is sourced from PubChem (CID 11731062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).