tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane

C18H39O3PSn — CID 177387685

IUPACtributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
SMILESCCCC[Sn](/C=C/P(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3,6H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyRDQPVSPHDFBTJQ-UHFFFAOYSA-N
MW453.19 g/mol
LogP7.15
Rot. Bonds15

About tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane

tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane (PubChem CID 177387685) has the molecular formula C18H39O3PSn and a molecular weight of 453.19 g/mol. Its IUPAC name is tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
PubChem CID177387685
Molecular FormulaC18H39O3PSn
Molecular Weight453.19 g/mol
Exact Mass454.17
IUPAC Nametributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
SMILESCCCC[Sn](/C=C/P(=O)(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3,6H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyRDQPVSPHDFBTJQ-UHFFFAOYSA-N
XLogP7.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.19
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate
CID 16683542
CID 134857162
CID 134857162
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane
CID 71350073
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane (CID 177387685) is tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane is CCCC[Sn](/C=C/P(=O)(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane?
The InChIKey is RDQPVSPHDFBTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P.3C4H9.Sn/c1-4-8-10(7,6-3)9-5-2;3*1-3-4-2;/h3,6H,4-5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane?
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane has a molecular weight of 453.19 g/mol, XLogP of 7.15, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane is sourced from PubChem (CID 177387685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).