tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane

C22H47O3PSn — CID 10255730

IUPACtributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H20O3P.3C4H9.Sn/c1-5-10(4)8-9-14(11,12-6-2)13-7-3;3*1-3-4-2;/h8,10H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyOWOGBCJFSSUGKW-UHFFFAOYSA-N
MW509.30 g/mol
LogP8.57
Rot. Bonds17

About tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane

tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane (PubChem CID 10255730) has the molecular formula C22H47O3PSn and a molecular weight of 509.30 g/mol. Its IUPAC name is tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane
PubChem CID10255730
Molecular FormulaC22H47O3PSn
Molecular Weight509.30 g/mol
Exact Mass510.23
IUPAC Nametributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H20O3P.3C4H9.Sn/c1-5-10(4)8-9-14(11,12-6-2)13-7-3;3*1-3-4-2;/h8,10H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyOWOGBCJFSSUGKW-UHFFFAOYSA-N
XLogP8.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.30
LogP ≤ 58.57
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

(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
(Z)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 123510870
tributyl-[(E)-1-diethoxyphosphoryl-3-methylbut-1-enyl]stannane
CID 10051460
2-Diethoxyphosphoryl-4-methylpent-1-ene
CID 10976975
tributyl-[(E)-1-diethoxyphosphorylhex-1-enyl]stannane
CID 11124047
tributyl-[(E)-1-diethoxyphosphorylhept-1-enyl]stannane
CID 11731062
(Z)-1-chloro-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13613013
Tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane
CID 15113640
(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene
CID 15351054
Diethyl [1-(tributylstannyl)hept-1-en-1-yl]phosphonate
CID 71377373
Diethyl [1-(tributylstannyl)hex-1-en-1-yl]phosphonate
CID 71377374

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane (CID 10255730) is tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/C(C)CC)P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane?
The InChIKey is OWOGBCJFSSUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3P.3C4H9.Sn/c1-5-10(4)8-9-14(11,12-6-2)13-7-3;3*1-3-4-2;/h8,10H,5-7H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane?
tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane has a molecular weight of 509.30 g/mol, XLogP of 8.57, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-diethoxyphosphoryl-3-methylpent-1-enyl]stannane is sourced from PubChem (CID 10255730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).