tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane

C21H45O3PSn — CID 15113640

IUPACtributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane
SMILESC=CCC(C)(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-5-8-9(4)13(10,11-6-2)12-7-3;3*1-3-4-2;/h5H,1,6-8H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyKACNRBZVRIAGIK-UHFFFAOYSA-N
MW495.27 g/mol
LogP7.98
Rot. Bonds17

About tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane

tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane (PubChem CID 15113640) has the molecular formula C21H45O3PSn and a molecular weight of 495.27 g/mol. Its IUPAC name is tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane.

Molecular Properties

Compound Nametributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane
PubChem CID15113640
Molecular FormulaC21H45O3PSn
Molecular Weight495.27 g/mol
Exact Mass496.21
IUPAC Nametributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane
SMILESC=CCC(C)(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H18O3P.3C4H9.Sn/c1-5-8-9(4)13(10,11-6-2)12-7-3;3*1-3-4-2;/h5H,1,6-8H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyKACNRBZVRIAGIK-UHFFFAOYSA-N
XLogP7.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.27
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
1-Diethoxyphosphorylbut-1-ene
CID 23280731
3-Diethoxyphosphorylhexa-1,2,5-triene
CID 25215347
3-[Ethoxy(prop-2-enoxy)phosphoryl]hepta-1,2-diene
CID 134867268
Ethoxy-hex-5-enyl-oxophosphanium
CID 134973479
tributyl-[(E)-1-diethoxyphosphorylpent-1-enyl]stannane
CID 135076139
Phosphonic acid, 7-octenyl-, dibutyl ester
CID 535191

Frequently Asked Questions

What is the IUPAC name of tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane?
The IUPAC name of tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane (CID 15113640) is tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane.
What is the SMILES notation for tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane?
The canonical SMILES for tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane is C=CCC(C)(P(=O)(OCC)OCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane?
The InChIKey is KACNRBZVRIAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3P.3C4H9.Sn/c1-5-8-9(4)13(10,11-6-2)12-7-3;3*1-3-4-2;/h5H,1,6-8H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane?
tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane has a molecular weight of 495.27 g/mol, XLogP of 7.98, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-diethoxyphosphorylpent-4-en-2-yl)stannane is sourced from PubChem (CID 15113640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).